Spectroscopic Studies on the Thermodynamics of the Complexation of Trivalent Curium with Propionate in the Temperature Range from 20 to 90 °C

The thermodynamics of the stepwise complexation reaction of Cm(III) with propionate was studied by time resolved laser fluorescence spectroscopy (TRLFS) and UV/Vis absorption spectroscopy as a function of the ligand concentration, the ionic strength and temperature (20–90 °C). The molar fractions of the 1:1 and 1:2 complexes were quantified by peak deconvolution of the emission spectra at each temperature, yielding the log₁₀ $ K_{n}^{\prime } $ values. Using the specific ion interaction theory (SIT), the thermodynamic stability constants log₁₀ $ K_{n}^{0} (T) $ were determined. The log₁₀ $ K_{n}^{0} (T) $ values show a distinct increase by 0.15 (n = 1) and 1.0 (n = 2) orders of magnitude in the studied temperature range, respectively. The temperature dependency of the log₁₀ $ K_{n}^{0} (T) $ values is well described by the integrated van’t Hoff equation, assuming a constant enthalpy of reaction and $ \Updelta_{\text{r}} C^\circ_{{p,{\text{m}}}} = 0, $ yielding the thermodynamic standard state $ \left( {\Updelta_{\text{r}} H^\circ_{\text{m}} ,\Updelta_{\text{r}} S^\circ_{\text{m}} ,\Updelta_{\text{r}} G^\circ_{\text{m}} } \right) $ values for the formation of the $ {\text{Cm(Prop)}}_{n}^{3 - n} $ , n = (1, 2) species.     

Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories

We have obtained accurate heats of formation for the twenty natural amino acids by means of explicitly correlated high-level thermochemical procedures. Our best theoretical heats of formation, obtained by means of the ab initio W1-F12 and W2-F12 thermochemical protocols, differ significantly (RMSD = 2.3 kcal/mol, maximum deviation 4.6 kcal/mol) from recently reported values using the lower-cost G3(MP2) method. With the more recent G4(MP2) procedure, RMSD drops slightly to 1.8 kcal/mol, while full G4 theory offers a more significant improvement to 0.72 kcal/mol (max. dev. 1.4 kcal/mol for glutamine). The economical G4(MP2)-6X protocol performs equivalently at RMSD = 0.71 kcal/mol (max. dev. 1.6 kcal/mol for arginine and glutamine). Our calculations are in excellent agreement with experiment for glycine, alanine and are in excellent agreement with the recent revised value for methionine, but suggest revisions by several kcal/mol for valine, proline, phenylalanine, and cysteine, in the latter case confirming a recent proposed revision. Our best heats of formation at 298 K ( $\Delta H_{f,298}^{\circ }$ ) are as follows: at the W2-F12 level: glycine ?94.1, alanine $-$ 101.5, serine $-$ 139.2, cysteine $-$ 94.5, and methionine $-$ 102.4  kcal/mol, and at the W1-F12 level: arginine $-$ 98.8, asparagine $-$ 146.5, aspartic acid $-$ 189.6, glutamine $-$ 151.0, glutamic acid $-$ 195.5, histidine $-$ 69.8, isoleucine $-$ 118.3, leucine $-$ 118.8, lysine $-$ 110.0, phenylalanine $-$ 76.9, proline $-$ 92.8, threonine $-$ 149.0, and valine $-$ 113.6 kcal/mol. For the two largest amino acids, an average over G4, G4(MP2)-6X, and CBS-QB3 yields best estimates of $-$ 58.4 kcal/mol for tryptophan, and of $-$ 117.5 kcal/mol for tyrosine. For glycine, we were able to obtain a “quasi-W4” result corresponding to $\hbox {TAE}_e$  = 968.1, $\hbox {TAE}_0$  = 918.6, $\Delta H_{f,298}^{\circ }=-90.0$ , and $\Delta H_{f,298}^{\circ }=-94.0$  kcal/mol.     

Ionization of pesticides using a far-ultraviolet femtosecond laser in gas chromatography/time-of-flight mass spectrometry

The fourth harmonic emission (200 nm) of a femtosecond Ti:sapphire laser (35 fs) was generated and used in the multiphoton ionization of 49 pesticides in gas chromatography/time-of-flight mass spectrometry. The limit of detection was improved when the ionization source from the third harmonic emission (267 nm) was replaced with the fourth harmonic emission for several pesticide molecules that contained no conjugated double bonds since their absorption bands are located in the far-ultraviolet region. This analytical instrument was used in the analysis of a series of real samples including potatoes, carrots, and cabbage, and a signal suspected to arise from di-allate was observed for the potato sample.

CORAL: QSPRs of enthalpies of formation of organometallic compounds

Available on the Internet the CORAL software gives reasonable good prediction for standard enthalpy of formation for selected organometallic compounds (n = 132). The approach is tested using five random splits of the considered data into the sub-training set (n = 32–49), calibration set (n = 36–51), test set (n = 10–29), and the validation set (n = 22–41). Compounds of the validation set are not involved in building up the models. The average statistical quality of prediction is the following: correlation coefficient ( $\overline{R^{2}} )$ R 2 ¯ ) $0.991\pm 0.005$ 0.991 ± 0.005 and standard error of estimation ( $\overline{s} )$ s ¯ ) $22.9 \pm 5.6$ 22.9 ± 5.6  kJ/mol.     

Photodissociation of pyrene dimer radical cation during the pulse radiolysis–laser flash photolysis combined method

Photodissociation of pyrene (Py) dimer radical cation (Py ₂ ^?+ ) giving pyrene radical cation (Py^?+) and Py and subsequent regeneration of Py ₂ ^?+ by association of Py^?+ and Py were directly observed during the pulse radiolysis–laser flash photolysis combined method at room temperature. When Py ₂ ^?+ was excited at the local excitation band with the 532-nm laser flash, the rapid growth and decay of monomeric Py^?+ were observed at 460 nm. The dissociation of Py ₂ ^?+ proceeded via a one-photon process to give the ground-state Py^?+(D₀) and Py in the quantum yield (Φ_diss) of (2.9 ± 0.9) × 10^?3. It was shown that Py^?+ decayed with a time constant of several tens of nanoseconds, indicating that the association of Py^?+ with Py regenerating Py ₂ ^?+ proceeds at a diffusion-controlled rate. The photodissociation proceeded from the lowest excited state of Py ₂ ^?+ , even when Py ₂ ^?+ was excited to the higher excited state. The difference between the Φ_diss value of Py ₂ ^?+ and that previously reported for naphthalene dimer radical cation (Np ₂ ^?+ ) is discussed.     

Theoretical study of N–H· · ·O hydrogen bonding properties and cooperativity effects in linear acetamide clusters

We investigated geometry, energy, ${\nu_{{\text{N--H}}}}$ harmonic frequencies, ¹⁴N nuclear quadrupole coupling tensors, and ${n_{\rm O}\to \sigma _{{\text{N--H}}}^\ast}$ charge transfer properties of (acetamide) _n clusters, with n = 1 ? 7, by means of second-order Møller-Plesset perturbation theory (MP2) and DFT method. Dependency of dimer stabilization energies and equilibrium geometries on various levels of theory was examined. B3LYP/6-311++G** calculations revealed that for acetamide clusters, the average hydrogen-bonding energy per monomer increases from ?26.85 kJ mol^?1 in dimer to ?35.12 kJ mol^?1 in heptamer; i.e., 31% cooperativity enhancement. The n-dependent trend of ${\nu_{{\text{N--H}}}\,{and}\,^{14}}$ N nuclear quadrupole coupling values were reasonably correlated with cooperative effects in ${r_{{\text{N--H}}}}$ bond distance. It was also found that intermolecular ${n_{\rm O}\to \sigma_{{\text{N--H}}}^\ast}$ charge transfer plays a key role in cooperative changes of geometry, binding energy, ${\nu_{{\text{N--H}}}}$ harmonic frequencies, and ¹⁴N electric field gradient tensors of acetamide clusters. There is a good linear correlation between ¹⁴N quadrupole coupling constants, C _Q (¹⁴N), and the strength of Fock matrix elements (F _ij ). Regarding the ${n_{\rm O}\to \sigma_{{\text{N--H}}}^\ast}$ interaction, the capability of the acetamide clusters for electron localization, at the N–H· · ·O bond critical point, depends on the cluster size and thereby leads to cooperative changes in the N–H· · ·O length and strength, N–H stretching frequencies, and ¹⁴N quadrupole coupling tensors.     

The calculation of the detection efficiency in the calibration of gross alpha–beta systems

This paper presents a method for efficiency calibration of a measuring alpha–beta system PROTEAN ORTEC, MPC-2000-DP, using standard radioactive sources. The system is used to measure gross alpha–beta activity concentrations in environmental samples. The calculated efficiencies of detection were subsequently introduced in the system for two working geometries: measuring geometry—gross alpha–beta $ \varepsilon_{\alpha }^{g} $  = 31,37 ± 0.25 (%)—the alpha efficiency and $ \varepsilon_{\beta }^{g} $  = 44.94 ± 0.69 (%)—the beta efficiency, where the spillover factor is $ X_{\text{talk}}^{g} $  = 25.59 ± 0.50 (%) and measuring geometry up alpha–beta $ \varepsilon_{\alpha }^{u} $  = 36.23 ± 0.29 (%)—the alpha efficiency and $ \varepsilon_{\beta }^{u} $  = 48.53 ± 0.74 (%)—the beta efficiency, where the spillover factor is $ X_{\text{talk}}^{u} $  = 31.08 ± 0.60 (%).     

Isothermal crystallization kinetics of poly(trimethylene terephthalate)/multiwall carbon nanotubes composites

The isothermal crystallization kinetics of poly(trimethylene terephthalate) (PTT) in the presence of varying amounts of multiwall carbon nanotubes (MWCNT) have been investigated using differential scanning calorimetry (DSC) and analyzed using Avrami and secondary nucleation theory. Polarized light microscopy (PLM) was used to study the crystal morphology of PTT/MWCNT composites. The results showed that the presence of MWCNTs in PTT acted as an effective nucleating agents and lead to the spherulitic morphology. The decrease in the spherulites size on MWCNT addition was observed by polarized light microscopy. Using values of transport parameters ( $ U* = 1500{\text{ cal mol}}^{ - 1} , \, \Updelta T =T_{\text{g}} - 30\, $ °C) together with experimentally determined values of equilibrium melting temperature [ $ T^{\text{o}}_{\text{m}} $ (245.2 °C)] and glass transition temperature [ $ T_{\text{g}} $ (45 °C)], the nucleation parameter, $ K_{\text{g}} $ and $ \sigma_{\text{e}} $ were determined for PTT and PTT/MWCNT composites according to Lauritzen–Hoffman theory. The decrease in the values of these parameters on MWCNT addition is in agreement with the fact that the rate of crystallization of PTT increased in the presence of MWCNTs.     

Solvent extraction of europium trifluoromethanesulfonate into nitrobenzene by using three electroneutral receptors

From extraction experiments and $ \gamma $ -activity measurements, the extraction constants corresponding to the general equilibrium Eu³⁺(aq) + 3 A^?(aq) + L(nb) $ \Leftrightarrow $ EuL³⁺(nb) + 3A^?(nb) taking place in the two-phase water–nitrobenzene system ( $ {\text{A}}^{ - } = {\text{CF}}_{ 3} {\text{SO}}_{3}^{ - } $ ; L = electroneutral receptors denoted by 1, 2, and 3 – see Scheme 1; aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Further, the stability constants of the EuL³⁺ complexes in nitrobenzene saturated with water were calculated; they were found to increase in the series of 3 < 2 < 1.

Thermal analysis, phase transitions and molecular reorientations in [Sr(OS(CH3)2)6](ClO4)2

Thermal analysis (TG/DTG/QMS), performed for [Sr(OS(CH₃)₂)₆](ClO₄)₂ in a flow of argon and in temperature range of 295–585 K, indicated that the compound is completely stable up to ca. 363 K, and next starts to decompose slowly, and in the temperature at ca. 492 K looses four (CH₃)₂SO molecules per one formula unit. During further heating [Sr(DMSO)₂](ClO₄)₂ melts and simultaneously decomposes with explosion. Differential scanning calorimetry (DSC) measurements performed in the temperature range of 93–370 K for [Sr(DMSO)₆](ClO₄)₂ revealed existence of the following phase transitions: glass ? crystal phase Cr5 at T _g  ≈ 164 K (235 K), phase Cr5 → phase Cr4 at $ T_{\text{c6}}^{\text{h}} $  ≈ 241 K, phase Cr4 → phase Cr3 at $ T_{\text{c5}}^{\text{h}} $  ≈ 255 K, phase Cr3 → phase Cr2 at $ T_{\text{c4}}^{\text{h}} $  ≈ 277 K, phase Cr2 ? phase Cr1 at $ T_{\text{c3}}^{\text{h}} $  ≈ 322 K and $ T_{\text{c3}}^{\text{c}} $  ≈ 314 K, phase Cr1 ? phase Rot2 at $ T_{\text{c2}}^{\text{h}} $  ≈ 327 K and $ T_{\text{c2}}^{\text{c}} $  ≈ 321 K and phase Rot2 ? phase Rot1 at $ T_{\text{c1}}^{\text{h}} $  ≈ 358 K and $ T_{\text{c1}}^{\text{c}} $  ≈ 347 K. Entropy changes values of the phase transitions at $ T_{\text{c1}}^{\text{h}} $ and $ T_{\text{c2}}^{\text{h}} $ (?S ≈ 79 and 24 J mol^?1 K^?1, respectively) indicated that phases Rot1 and Rot2 are substantially orientationally disordered. The solid phases (Cr1–Cr5) are more or less ordered phases (?S ≈ 7, 10, 4 and 3 J mol^?1 K^?1, respectively). Phase transitions in [Sr(DMSO)₆](ClO₄)₂ were also examined by Fourier transform middle infrared spectroscopy (FT-MIR). The characteristic changes in the FT-MIR absorption spectra of the low- and high-temperature phases observed at the phase transition temperatures discovered by DSC allowed us to relate these phase transitions to the changes of the reorientational motions of DMSO ligands and/or to the crystal structure changes.     

Volumetric Properties of 1,3-Dioxolane + Toluene + o- or p-Xylene Ternary Mixtures at 25.00 °C and Atmospheric Pressure

Excess molar volumes, $ V_{123}^{\text{E}} $ V 123 E , of 1, 3-dioxolane (1) + toluene (2) + o- or p-xylene (3) ternary mixtures have been determined dilatometrically over the entire composition range at 298.15 K. For thermodynamic consistency the experimental values were fitted to Redlich–Kister Equation. The $ V_{123}^{\text{E}} $ V 123 E values of 1, 3-dioxolane (1) + toluene (2) + o- or p-xylene (3) ternary mixtures have been found to be negative over the whole composition range. It has been observed that $ V_{123}^{\text{E}} $ V 123 E values calculated by graph theory are of the same sign and magnitude with respect to their experimental values.     

A method for the determination of d-kynurenine in biological tissues

d-Kynurenine (d-KYN), a metabolite of d-tryptophan, can serve as the bioprecursor of kynurenic acid (KYNA) and 3-hydroxykynurenine, two neuroactive compounds that are believed to play a role in the pathophysiology of several neurological and psychiatric diseases. In order to investigate the possible presence of d-KYN in biological tissues, we developed a novel assay based on the conversion of d-KYN to KYNA by purified d-amino acid oxidase (d-AAO). Samples were incubated with d-AAO under optimal conditions for measuring d-AAO activity (100 mM borate buffer, pH 9.0), and newly produced KYNA was detected by high-performance liquid chromatography (HPLC) with fluorimetric detection. The detection limit for d-KYN was 300 fmol, and linearity of the assay was ascertained up to 300 pmol. No assay interference was noted when other d-amino acids, including d-serine and d-aspartate, were present in the incubation mixture at 50-fold higher concentrations than d-KYN. Using this new method, d-KYN was readily detected in the brain, liver, and plasma of mice treated systemically with d-KYN (300 mg/kg). In these experiments, enantioselectivity was confirmed by determining total kynurenine levels in the same samples using a conventional HPLC assay. Availability of a sensitive, specific, and simple method for d-KYN measurement will be instrumental for evaluating whether d-KYN should be considered for a role in physiology and pathology.     

The yjjN of E. coli codes for an l-galactonate dehydrogenase and can be used for quantification of l-galactonate and l-gulonate

Escherichia coli is able to utilize l-galactonate as a sole carbon source. A metabolic pathway for l-galactonate catabolism is described in E. coli, and it is known to be interconnected with d-galacturonate metabolism. The corresponding gene encoding the first enzyme in the l-galactonate pathway, l-galactonate-5-dehydrogenase, was suggested to be yjjN. However, l-galactonate dehydrogenase activity was never demonstrated with the yjjN gene product. Here, we show that YjjN is indeed an l-galactonate dehydrogenase having activity also for l-gulonate. The K _m and k _cat for l-galactonate were 19.5?±?0.6 mM and 0.51?±?0.03 s^?1, respectively. In addition, YjjN was applied for a quantitative detection of the both of these substances in a coupled assay. The detection limits for l-galactonate and l-gulonate were 1.65 and 10 μM, respectively.     

Infrared Spectroscopy of \hbox {CH}_4/\hbox {N}_{2} and \hbox {C}_{2}\hbox {H}_{m}/\hbox {N}_{2} ({m = 2, 4, 6}) Gas Mixtures in a Dielectric Barrier Discharge

Fourier transform infrared spectroscopy of \(\hbox {CH}_{4}/\hbox {N}_{2}\) and \(\hbox {C}_{2}\hbox {H}_{m}/\hbox {N}_2\) ( \(m = 2, 4, 6\) ) gas mixtures in a medium pressure (300 mbar) dielectric barrier discharge was performed. Consumption of the initial gas and formation of other hydrocarbon and of nitrogen-containing HCN and \(\hbox {NH}_{3}\) molecules was observed. \(\hbox {NH}_{3}\) formation was further confirmed by laser absorption measurements. The experimental result for \(\hbox {NH}_{3}\) is at variance with simulation results.     

Excess Molar Volumes and Excess Isentropic Compressibilities of o-Toluidine + Tetrahydropyran with Pyridine or Benzene or Toluene Ternary Mixtures at 298.15, 303.15 and 308.15 K

The densities, ρ ₁₂₃, and speeds of sound, u ₁₂₃, of ternary o-toluidine (OT, 1) + tetrahydropyran (THP, 2) + pyridine (Py) or benzene or toluene (3) mixtures have been measured as a function of composition at 298.15, 303.15 and 308.15 K. Values of the excess molar volumes, $ V_{123}^{\text{E}} , $ and excess isentropic compressibilities, $ (\kappa_{\text{S}}^{\text{E}} )_{123} , $ of the studied mixtures have been determined by employing the measured experimental data. The observed thermodynamic properties were fitted with the Redlich–Kister equation to determine adjustable ternary parameters and standard deviations. The $ V_{123}^{\text{E}} $ and $ (\kappa_{\text{S}}^{\text{E}} )_{123} $ values were also analyzed in terms of Graph theory. It was observed that Graph theory correctly predicts the sign as well as magnitude of $ V_{123}^{\text{E}} $ and $ (\kappa_{\text{S}}^{\text{E}} )_{123} $ values of the investigated mixtures. Analysis of the data suggests strong interactions and a more close packed arrangement in OT (1) + THP (2) + Py (3) mixtures as compared to those of the OT (1) + THP (2) + benzene (3) or toluene (3) mixtures. This may be due to the presence of a nitrogen atom in Py which results in stronger interactions for the OT:THP molecular entity as compared to those with benzene or toluene.     

Volumetric Properties of the Nucleoside Thymidine in Aqueous Solution at T = 298.15 K and p = (10 to 100) MPa

Sound speeds have been measured for aqueous solutions of the nucleoside thymidine at T = 298.15 K and at the pressures p = (10, 20, 40, 60, 80, and 100) MPa. The partial molar volumes at infinite dilution, $ V_{2}^{\text{o}} $ , the partial molar isentropic compressions at infinite dilution, $ K_{S,2}^{\text{o}} $ , and the partial molar isothermal compressions at infinite dilution, $ K_{T,2}^{\text{o}} $ $ \{ K_{T,2}^{\text{o}} = - (\partial V_{2}^{\text{o}} /\partial p)_{T} \} $ , have been derived from the sound speeds at elevated pressures using methods described in our previous work. The $ V_{2}^{\text{o}} $ and $ K_{T,2}^{\text{o}} $ results were rationalized in terms of the likely interactions between thymidine and the aqueous solvent. The $ V_{2}^{\text{o}} $ results were also compared with those calculated using the revised Helgeson–Kirkham–Flowers (HKF) equation of state.     

Comparison of ordered mesoporous materials sorption properties towards amino acids

The adsorption of amino acids such as l-phenylalanine and l-histidine was carried out on a series of mesoporous carbons obtained with the use ordered silicas KIT-6, SBA-16, SBA-15 as templates and furfuryl alcohol as carbon precursor. Small angle XRD analysis confirmed the ordered mesoporous structures of all materials obtained. They were also characterised by well-developed surface areas and high pore volumes. Adsorption behaviour of amino acids on ordered mesoporous carbons was investigated in potassium phosphate buffer solutions with adjustable l-phenylalanine and l-histidine concentration, ion strength, and pH. The highest sorption capacity towards the amino acids were observed at pH close to the isoelectric point of l-phenylalanine (pI = 5.48) and l-histidine (pI = 7.59). Electrostatic, hydrophobic and steric interactions had very strong effect on the adsorption of amino acids on mesoporous carbons. The amount of l-phenylalanine and l-histidine adsorbed decreased in the following sequence: C_KIT-6 > C_SBA-16 > C_SBA-15 that was strongly related to their structure, surface areas and average pore diameters.     

l-Ribose Production from l-Arabinose by Immobilized Recombinant Escherichia coli Co-expressing the l-Arabinose Isomerase and Mannose-6-Phosphate Isomerase Genes from Geobacillus thermodenitrificans

l-Ribose is an important precursor for antiviral agents, and thus its high-level production is urgently demanded. For this aim, immobilized recombinant Escherichia coli cells expressing the l-arabinose isomerase and variant mannose-6-phosphate isomerase genes from Geobacillus thermodenitrificans were developed. The immobilized cells produced 99 g/l l-ribose from 300 g/l l-arabinose in 3 h at pH 7.5 and 60 °C in the presence of 1 mM Co²⁺, with a conversion yield of 33 % (w/w) and a productivity of 33 g/l/h. The immobilized cells in the packed-bed bioreactor at a dilution rate of 0.2 h^?1 produced an average of 100 g/l l-ribose with a conversion yield of 33 % and a productivity of 5.0 g/l/h for the first 12 days, and the operational half-life in the bioreactor was 28 days. Our study is first verification for l-ribose production by long-term operation and feasible for cost-effective commercialization. The immobilized cells in the present study also showed the highest conversion yield among processes from l-arabinose as the substrate.     

Synergistic extraction of europium and americium into nitrobenzene by using hydrogen dicarbollylcobaltate and bis(diphenylphosphino)methane dioxide

Extraction of microamounts of europium and americium by a nitrobenzene solution of hydrogen dicarbollylcobaltate (H⁺B^?) in the presence of bis(diphenylphosphino)methane dioxide (DPPMDO, L) has been investigated. The equilibrium data have been explained assuming that the species $ {\text{HL}}^{ + } $ , $ {\text{HL}}_{2}^{ + } $ , $ {\text{ML}}_{2}^{3 + } $ , $ {\text{ML}}_{3}^{3 + } $ and $ {\text{ML}}_{4}^{3 + } $ (M³⁺ = Eu³⁺, Am³⁺) are extracted into the organic phase. The values of extraction and stability constants of the species in nitrobenzene saturated with water have been determined. It was found that the stability constants of the corresponding complexes $ {\text{EuL}}_{n}^{3 + } $ and $ {\text{AmL}}_{n}^{3 + } $ , where n = 2, 3 and L is DPPMDO, in water–saturated nitrobenzene are comparable, whereas in this medium the stability of the cationic species $ {\text{AmL}}_{4}^{3 + } $ (L = DPPMDO) is somewhat higher than that of $ {\text{EuL}}_{4}^{3 + } $ with the same ligand L.     

Densities and Volumetric Properties of Butyl Acrylate + 1-Butanol, or +2-Butanol, or +2-Methyl-1-propanol, or +2-Methyl-2-propanol Binary Mixtures at Temperatures from 288.15 to 318.15 K

The densities, ρ, of binary mixtures of butyl acrylate with 1-butanol, 2-butanol, 2-methyl-1-propanol, and 2-methyl-2-propanol, including those of the pure liquids, were measured over the entire composition range at temperatures of (288.15, 293.15, 298.15, 303.15, 308.15, 313.15, and 318.15) K and atmospheric pressure. From the experimental data, the excess molar volume $ V_{\text{m}}^{\text{E}} $ V m E , partial molar volumes $ \overline{V}_{\text{m,1}} $ V ¯ m,1 and $ \overline{V}_{\text{m,2}} $ V ¯ m,2 , and excess partial molar volumes $ \overline{V}_{\text{m,1}}^{\text{E}} $ V ¯ m,1 E and $ \overline{V}_{\text{m,2}}^{\text{E}} $ V ¯ m,2 E , were calculated over the whole composition range as were the partial molar volumes $ \overline{V}_{\text{m,1}}^{^\circ } $ V ¯ m,1 ° and $ \overline{V}_{\text{m,2}}^{^\circ } $ V ¯ m,2 ° , and excess partial molar volumes $ \overline{V}_{\text{m,1}}^{{^\circ {\text{E}}}} $ V ¯ m,1 ° E and $ \overline{V}_{\text{m,2}}^{{^\circ {\text{E}}}} $ V ¯ m,2 ° E , at infinite dilution,. The $ V_{\text{m}}^{\text{E}} $ V m E values were found to be positive over the whole composition range for all the mixtures and at each temperature studied, indicating the presence of weak (non-specific) interactions between butyl acrylate and alkanol molecules. The deviations in $ V_{\text{m}}^{\text{E}} $ V m E values follow the order: 1-butanol < 2-butanol < 2-methyl-1-propanol < 2-methyl-2-propanol. It is observed that the $ V_{\text{m}}^{\text{E}} $ V m E values depend upon the position of alkyl groups in alkanol molecules and the interactions between butyl acrylate and isomeric butanols decrease with increase in the number of alkyl groups at α-carbon atom in the alkanol molecules.