共查询到20条相似文献,搜索用时 15 毫秒
1.
Juan M. Ledo Henoc Flores Fernando Ramos Elsa A. Camarillo 《Molecules (Basel, Switzerland)》2022,27(2)
Using static bomb combustion calorimetry, the combustion energy of 1-methylhydantoin was obtained, from which the standard molar enthalpy of formation of the crystalline phase at T = 298.15 K of the compound studied was calculated. Through thermogravimetry, mass loss rates were measured as a function of temperature, from which the enthalpy of vaporization was calculated. Additionally, some properties of fusion were determined by differential scanning calorimetry, such as enthalpy and temperature. Adding the enthalpy of fusion to the enthalpy of vaporization, the enthalpy of sublimation of the compound was obtained at T = 298.15 K. By combining the enthalpy of formation of the compound in crystalline phase with its enthalpy of sublimation, the respective standard molar enthalpy of formation in the gas phase was calculated. On the other hand, the results obtained in the present work were compared with those of other derivatives of hydantoin, with which the effect of the change of some substituents in the base heterocyclic ring was evaluated. 相似文献
2.
Manuel A. V. Ribeiro da Silva Maria Dores M. C. Ribeiro da Silva Maria Fatima B. M. Monteiro Maria Luísa A. C. N. Gomes James S. Chickos Anjanette P. Smith Joel F. Liebman 《Structural chemistry》1996,7(5-6):367-373
The standard (p
o=0.1 MPa) molar enthalpies of combustion atT=298.15 K were measured by static bomb combustion calorimetry for liquidN,N-diethylaniline,N,N-dimethyl-m-toluidine,N,N-dimethyl-p-toluidine, andN-ethyl-m-toluidine. Vaporization enthalpies forN,N-dimethyl-m-toluidine andN-ethyl-m-toluidine were determined by correlation gas chromatography. Derived standard molar values of f
H
m
o
(g) at 298.15 K forN,N-diethylaniline (62.1±7.6);N,N-dimethyl-m-toluidine (72.6±7.3),N,N-dimentyl-p-toluidine (68.9±7.4),N-ethyl-m-toluidine (30.5±3.8 kJ· mol–1) were obtained. 相似文献
3.
M. A. V. Ribeiro da Silva Joana I. T. A. Cabral 《Journal of Thermal Analysis and Calorimetry》2007,90(3):865-871
The standard (p
o=0.1 MPa) molar energies of combustion for the crystalline 1-benzyl-4-piperidinol and 4-piperidine-piperidine, and for the
liquid 4-benzylpiperidine, were measured by static bomb calorimetry, in oxygen, at T=298.15 K. The standard molar enthalpies of sublimation or vaporization, at T=298.15 K, of these three compounds were determined by Calvet microcalorimetry.
Those values were used to derive the standard molar enthalpies of formation, at T=298.15 K, in their condensed and gaseous phase, respectively. 相似文献
4.
稀土氨基酸配合物是一类具有应用前景的化合物,它有杀菌、消炎、抗凝血等作用 [1,2], 1975年 Anghileri报道了 La(Gly)3Cl3· 3H2O具有抗肿瘤作用后,更引起了人们的关注,但多数是研究这类配合物的制备和性质 [3~ 5],而对其进行热化学研究的较少,稀土氨基酸配合物的热力学数据目前尚很缺乏。为此,我们进行了这方面的研究工作。 硝酸铒与丙氨酸固体配合物的合成及相平衡研究已有报道 [3,4],其配位反应的热化学性质研究未见报道。本文用量热法分别测定了配位反应的反应物 [Er(NO3)3· 6H2O+ 4Ala]和产物 [Er(Ala)4(NO3)3· H2… 相似文献
5.
The standard molar enthalpies of vaporization
l
g
H
m
º
of 2,5-dimethylfuran, 2-tert-butylfuran, 2,5-di-tert-butylfuran, cyclopentenyl methyl ether, cyclohexenyl methyl ether, and tert-amyl methyl ether were obtained from the temperature variation of the vapor pressure measured in a flow system. The standard (p° = 0.1 MPa) molar enthalpies of formation f H
m
º
(1) at the temperature T = 298.15 K were measured using combustion calorimetry for 2,5-dimethylfuran, 2-tert-butylfuran, and 2,5-di-tert-butylfuran. From the derived standard molar enthalpies of formation for gaseous compounds, ring correction terms and non-nearest neighbor interactions useful in the application of the Benson group additivity scheme were calculated. 相似文献
6.
The standard (p° = 0.1 MPa) molar enthalpies of formation of 3-acetylbenzonitrile and benzoylacetonitrile, in the crystalline phase, were derived from the respective standard massic energies of combustion measured by static bomb combustion calorimetry, in oxygen, at T = 298.15 K. The standard molar enthalpies of sublimation, at T = 298.15 K, were measured by Calvet microcalorimetry. From the above experimentally determined enthalpic parameters, the standard molar enthalpies of formation in the gaseous phase, at T = 298.15 K, are found to be: (52.4 ± 2.1) kJ · mol−1 and (74.8 ± 2.5) kJ · mol−1 for 3-acetylbenzonitrile and benzoylacetonitrile, respectively.Molecular structures were computed using highly accurate ab initio techniques. Standard molar enthalpies of formation of the experimentally studied compounds were derived using an appropriate set of working reactions. Very good agreement between the calculated and the experimental values was obtained, so the calculations were extended to the estimates of the standard molar enthalpies of formation of 2- and 4-acetylbenzonitriles whose study was not performed experimentally.Our results were further interpreted and rationalized in terms of the enthalpic stability and compared to other relevant disubstituted benzenes. 相似文献
7.
Thermochemical studies of 1-hydroxyisoquinoline, 5-hydroxyisoquinoline and 1,5-dihydroxyisoquinoline
Manuel A.V. Ribeiro da Silva Maria Agostinha R. Matos Luísa M.P.F. Amaral 《The Journal of chemical thermodynamics》2005,37(12):1312-1317
The standard (p° = 0.1 MPa) molar enthalpies of formation, , for crystalline 1-hydroxyisoquinoline, 5-hydroxyisoquinoline and 1,5-diidroxyisoquinoline, were derived from the standard molar enthalpies of combustion, in oxygen, at the temperature 298.15 K, measured by static bomb-combustion calorimetry. The standard molar enthalpies of sublimation, , at T = 298.15 K, were determined by Calvet microcalorimetry. The results were as follows:
1-Hydroxyisoquinoline 4395.1 ± 1.5 113.6 ± 2.2 5-Hydroxyisoquinoline 4455.2 ± 1.9 109.6 ± 2.1 1,5-Dihydroxyisoquinoline 4194.1 ± 2.2 123.6 ± 2.2 - Full-size table
8.
Thermochemical
studies on the thioproline 总被引:3,自引:0,他引:3
The combustion energy of thioproline was determined
by the precision rotating-bomb calorimeter at 298.15 K to be Δc
U= –2469.30±1.44 kJ mol–1.
From the results and other auxiliary quantities, the standard molar enthalpy
of combustion and the standard molar enthalpy of formation of thioproline
were calculated to be Δc
H
m
θC4H7NO2S,
(s), 298.15 K= –2469.92±1.44 kJ mol–1
and Δf
H
m
θC4H7NO2S, (s), 298.15K= –401.33±1.54
kJ mol–1. 相似文献
9.
M. A. V. Ribeiro da Silva Ana Filipa L. O. M. Santos 《Journal of Thermal Analysis and Calorimetry》2007,88(1):7-17
The standard (p
0=0.1
MPa) molar enthalpies of formation, in the condensed phase, of nine linear-alkyl
substituted thiophenes, six in position 2- and three in position 3-, at T=298.15 K, were derived from the standard massic
energies of combustion, in oxygen, to yield CO2(g)
and H2SO4·115H2O(aq),
measured by rotating-bomb combustion calorimetry. The standard molar enthalpies
of vaporization of these compounds were measured by high temperature Calvet
Microcalorimetry, so their standard molar enthalpies of formation, in the
gaseous phase, were derived.
The results are discussed in terms
of structural contributions to the energetics of the alkyl-substituted thiophenes,
and empirical correlations are suggested for the estimation of the standard
molar enthalpies of formation, at T=298.15
K, for 2- and 3-alkyl-substituted thiophenes, both in the condensed and in
the gaseous phases. 相似文献
10.
Maria D. M. C. Ribeiro da Silva Joana I. T. A. Cabral Chelsea Givens Stephanie Keown W. E. Acree Jr. 《Journal of Thermal Analysis and Calorimetry》2008,92(1):73-78
The standard (p
0=0.1 MPa) molar enthalpies of formation, in the gaseous phase, at T-298.15 K, for 2,5-dimethylpyrazine (2,5-DMePz) and for the two dimethylpyrazine-N,N′-dioxide derivatives, 2,3-dimethylpyrazine-1,4-dioxide (2,3-DMePzDO) and 2,5-dimethylpyrazine-1,4-dioxide (2,5-DMePzDO), were
derived from the measurements of standard massic energies of combustion, using a static bomb calorimeter, and from the standard
molar enthalpies of vaporization or sublimation, measured by Calvet microcalorimetry.
The mean values for the molar dissociation enthalpy of the nitrogen-oxygen bonds, 〈DH
m0〉(N-O), were derived for both N,N′-dioxide compounds. These values are discussed in terms of the molecular structure of the two N,N′-dioxide derivatives and compared with 〈DH
m0〉(N-O) values previously obtained for other N-oxide derivatives. 相似文献
11.
Sergey P. Verevkin Wei-Hong Peng Hans-Dieter Beckhaus Christoph Rüchardt 《Structural chemistry》1996,7(5-6):397-404
The standard enthalpies of combustion c
H
o of aliphatic diacetates1 and aromatic diacetates2 were measured calorimetrically. The enthalpies of vaporization vap
H
o or sublimation sub
H
o of1 and2 were obtained from the temperature function of the vapor pressure measured in a flow system. From f
H
o(g) of1 and2 new values of group increments for the estimation of standard enthalpies of formation of these classes of compounds were derived. The geminal interaction energy between the geminal acyloxy groups shows no anomeric stabilization.Geminal Substituent Effects, Part 12, for part 11 see Ref. 7. 相似文献
12.
13.
14.
The standard molar enthalpies of formation
f
H
m
°
(l) at the temperature T = 298.15 K were determined using combustion calorimetry for N-methylpiperidine (A), N-ethylpiperidine (B), N-propylpiperidine (C), N-butylpiperidine (D), N-cyclopentylpiperidine (E), N-cyclohexylpiperidine (F), and N-phenylpiperidine (G). The standard molar enthalpies of vaporization
l
g
H
m
° of these compounds were obtained from the temperature variation of the vapor pressure measured in a flow system. From these data the following standard molar enthalpies of formation in gaseous phase
f
H
m
°
(g) were derived for: A –(61.39 ± 0.88); B –(88.1 ± 1.3); C –(105.81 ± 0.66); D –(126.2 ± 1.3); E ( –88.21 ± 0.75); F –(135.21 ± 0.94); G (70.3 ± 1.4) kJ · mol–1. They are used to determine the strain enthalpies of the cyclic amines A–G. The N-alkylated piperidine rings have been found to be about strainless. 相似文献
15.
Verevkin Sergey P. Beckhaus Hans-Dieter Schüle Ursula Rüchardt Christoph 《Structural chemistry》1998,9(1):1-7
The standard molar enthalpies of formation H
f
00B0;
(liq) at the temperature t = 298.15 K were determined using combustion calorimetry for N-methyl-3-methyl-3-phenyl-2-butaneamine 1a, N,N-dimethyl-3-methyl-3-phenyl-2-butaneamine 1b N-methyl-2,3-dimethyl-3-phenyl-2-butaneamine 2a, and N,N-dimethyl-2,3-dimethyl-3-phenyl-2-butaneamine 2b. The standard molar enthalpies of vaporization H
vap
00B0;
of these compounds were obtained from the temperature variation of the vapor pressure measured in a flow system. The following standard molar enthalpies of formation in gaseous phase H
f
00B0;
(g) are obtained from these data: for 1a – 10.9 ± 1.9; 1b – 3.6 ± 1.8; 1c – 26.6 ± 1.4, and 1d – 23.0 ± 1.8 kJ mol–1. From the standard molar enthalpies of formation for gaseous compounds which are available in the literature, improved values for the increments of the Benson group addivitiy scheme of amines were calculated. They are used to determine the strain enthalpies of the amines 1 and 2 from this investigation. 相似文献
16.
A complex of samarium with glymine, [Sm(Gly)2Cl3·3H2O], was synthesized and characterized by DSC, TG and DTG. A possible mechanism of thermal decomposition of this complex was suggested. The heat capacities of the complex were measured by a precision adiabatic calorimeter over the temperature range from 82 to 375 K. The solution enthalpies of reactants [SmCl3·6H2O+2Gly] and the products [Sm(Gly)2Cl3·3H2O+3H2O] were determined by an isoperibel solution- reaction calorimeter at 298.15 K, respectively; the standard molar enthalpy of formation of [Sm(Gly)2Cl3·3H2O] was calculated through a designed thermochemical cycle. 相似文献
17.
Lijun Wang Fei Liu Xuwu Yang Xiaoyan Wang Ruiping Liu Sa Zhao Sanping Chen 《Thermochimica Acta》2009,490(1-2):43-46
Fourteen rare earth complexes with pyromellitic acid were synthesized and characterized by means of chemical and elemental analysis, and TG–DTG. The constant-volume combustion energies of complexes, ΔcU, were measured by a precise rotating-bomb calorimeter (RBC-type II). Their standard molar enthalpies of combustion, , and standard molar enthalpies of formation, , were calculated at T = 298.15 K. The relationship of and with the atomic numbers of the elements in the lanthanide series was examined. The results show that a certain amount of covalence is present in the chemical bond between rare earth cations and the ligand. 相似文献
18.
Ana L. R. Silva Vnia M. S. Costa Maria D. M. C. Ribeiro da Silva 《Molecules (Basel, Switzerland)》2022,27(1)
The determination of the reliable thermodynamic properties of 2-benzoxazolinone derivatives is the main goal of this work. Some correlations are established between the energetic properties determined and the structural characteristics of the title compounds, and the reactivity of this class of compounds is also evaluated. Static-bomb combustion calorimetry and high-temperature Calvet microcalorimetry were used to determine, respectively, the standard molar enthalpies of formation in the solid state and the standard molar enthalpies of sublimation, both at T = 298.15 K. Using the results obtained for each compound, the respective gas-phase standard molar enthalpy of formation was derived. High-level quantum chemical calculations were performed to estimate the same property and the results evidence good accordance. Moreover, the gas-phase relative thermodynamic stability of 2-benzoxazolinone derivatives was also evaluated using the respective gas-phase standard molar Gibbs energy of formation. In addition, the relationship between the energetic and structural characteristics of the benzoxazolinones is presented, evidencing the enthalpic increments associated with the presence of a methyl and a nitro groups in the molecule, and this effect is compared with similar ones in other structurally related compounds. 相似文献
19.
V. A. Lukyanova T. S. Papina K. V. Didenko A. S. Alikhanyan 《Journal of Thermal Analysis and Calorimetry》2008,92(3):743-746
The standard enthalpy of combustion of crystalline silver pivalate, (CH3)3CC(O)OAg (AgPiv), was determined in an isoperibolic calorimeter with a self-sealing steel bomb, Δc
H
0 (AgPiv, cr)= −2786.9±5.6 kJ mol−1. The value of standard enthalpy of formation was derived for crystalline state: Δf
H
0(AgPiv,cr)= −466.9±5.6 kJ mol−1. Using the enthalpy of sublimation, measured earlier, the enthalpy of formation of gaseous dimer was obtained: Δf
H
0(Ag2Piv2,g)= −787±14 kJ mol−1. The enthalpy of reaction (CH3)3CC(O)OAg(cr)=Ag(cr)+(CH3)3CC(O)O.(g) was estimated, Δr
H
0=202 kJ mol−1. 相似文献
20.
细菌最佳生长的热化学研究刘义,冯英,谢昌礼,屈松生,冯长健,乐芝凤(武汉大学化学系武汉430072)(华中师范大学化学系武汉)关键词 细菌最佳生长温度,席夫碱,热化学,微量热法用微量热法研究细菌生长代谢过程已有大量报道[1~4],可求出细菌生长的速率... 相似文献