Vapor Pressures and Thermophysical Properties of Ethylene Carbonate, Propylene Carbonate, γ-Valerolactone, and γ-Butyrolactone

被引:46
作者
Pokorny, Vaclav [1 ]
Stejfa, Vojtech [1 ]
Fulem, Michal [1 ]
Cervinka, Ctirad [1 ]
Ruzicka, Kvetoslav [1 ]
机构
[1] Univ Chem & Technol, Dept Phys Chem, Tech 5, CZ-16628 Prague 6, Czech Republic
关键词
MOLAR HEAT-CAPACITIES; THERMODYNAMIC PROPERTIES; REFRACTIVE-INDEXES; ORGANIC CARBONATES; LIQUID-EQUILIBRIA; PHASE-EQUILIBRIA; CRITICAL-POINT; PLUS ESTERS; ENERGY; ELECTROLYTES;
D O I
10.1021/acs.jced.7b00578
中图分类号
O414.1 [热力学];
学科分类号
摘要
In this work, a thermodynamic study of four important industrial solvents, ethylene carbonate (CAS RN: 96-49-1), propylene carbonate (CAS RN: 108-32-7), gamma-valerolactone (CAS RN: 108-29-2), and gamma-butyrolactone (CAS RN: 96-48-0), is presented. The vapor pressure measurements were performed by static method using two apparatuses in a combined temperature interval (238-363) K. Heat capacities of condensed phases were measured by Tian-Calvet calorimetry in the temperature interval (262-358) K. The phase behavior of ethylene carbonate and gamma-valerolactone was investigated by a heat-flux DSC from 183-303 and 328 K, respectively. Ideal-gas thermodynamic properties were calculated using the methods of statistical thermodynamics based on calculated fundamental vibrational frequencies and molecular structure data. A consistent thermodynamic description of all involved properties (calculated ideal-gas heat capacities and experimental data on vapor pressures, condensed phase heat capacities, and vaporization enthalpies) was achieved by their simultaneous correlation.
引用
收藏
页码:4174 / 4186
页数:13
相关论文
共 72 条
[1]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[2]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[3]  
Bonner O.D., 1970, J CHEM THERMODYN, V2, P63
[4]   Apparent molar volume, heat capacity, and conductance of lithium bis(trifluoromethylsulfone)imide in glymes and other aprotic solvents [J].
Brouillette, D ;
Perron, G ;
Desnoyers, JE .
JOURNAL OF SOLUTION CHEMISTRY, 1998, 27 (02) :151-182
[5]   ON THE STRAIN-ENERGY OF 5-RING AND 6-RING LACTONES [J].
BROWN, JM ;
CONN, AD ;
PILCHER, G ;
LEITAO, MLP ;
YANG, MY .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1989, (23) :1817-1819
[6]   ENTHALPIES OF COMBUSTION AND FORMATION OF ETHYLENE CARBONATE [J].
CALHOUN, WL .
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1983, 28 (02) :146-148
[7]   Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 1 [J].
Censky, Miroslav ;
Rohac, Vladislav ;
Ruzicka, Kvetoslav ;
Fulem, Michal ;
Aim, Karel .
FLUID PHASE EQUILIBRIA, 2010, 298 (02) :192-198
[8]   Vapor pressure and liquid heat capacity of alkylene carbonates [J].
Chernyak, Y ;
Clements, JH .
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2004, 49 (05) :1180-1184
[10]   Excess molar enthalpies, molar heat capacities, densities, viscosities, and refractive indices of dimethyl sulfoxide plus esters of carbonic acid at 308.15 K and atmospheric pressure [J].
Comelli, F ;
Francesconi, R ;
Bigi, A ;
Rubini, K .
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2006, 51 (02) :665-670