================================= Acetic acid ================================== Record Number: AceticAcid.txt CAS Number: 64-19-7 Chemical Abstracts Name: Acetic acid Family: Acid Empirical Formula: C2H4O2 IUPAC Name: Acetic acid Common Name: Acetic acid Structure: C2H4O2 Other Names: Ethanoic acid Ethylic acid FEMA Number: 2006 Flavis Number: 8.002 Glacial acetic acid ---------------- Constant Values ----------------- Molecular Weight, kg/kmol 60.053 Experimental Unknown 1 2 Lower Flammability Limit Temperature, K 312.693 Predicted Unknown 3 Upper Flammability Limit Temperature, K 345.067 Predicted Unknown 3 Critical Compressibility Factor 0.201 Experimental Unknown 4 2 Acentric Factor 0.447 Experimental Unknown 4 2 van der Waals Reduced Volume, m^3/kmol van der Waals Area, m^2/kmol Gibbs Energy of Formation of Ideal Gas at 298.15 K and 101325 Pa, J/kmol -3.6354e+08 Predicted Unknown 5 2 Gibbs Energy of Formation in Standard State at 298.15 K and 101325 Pa, J/kmol -3.88988e+08 Predicted Unknown 6 2 Radius of Gyration, m 2.61e-10 Experimental Unknown 1 2 Solubility Parameter at 298.15 K, (J/m^3)^(1/2) 26500 Experimental Unknown 7 2 Dipole Moment, c*m 5.80401e-30 Experimental Unknown 8 2 Refractive Index at 298.15 K Unknown Critical Temperature, K 592.71 Experimental Unknown 4 2 Melting Point (1 atm), K 289.49 Experimental Unknown 9 2 Normal Boiling Point (1 atm), K 391.05 Experimental Unknown 1 2 Enthalpy of Formation of Ideal gas at 298.15 K and 101325 Pa, J/kmol -4.328e+08 Experimental Unknown 10 2 Critical Pressure, Pa 5.786e+06 Experimental Unknown 4 2 Absolute Entropy of Ideal Gas at 298.15 K and 101325 Pa, J/kmol*K 282500 Experimental Unknown 10 2 Enthalpy of Fusion at Melting Point, J/kmol 1.172e+07 Experimental Unknown 11 2 Critical Volume, m^3/kmol 0.171 Experimental Unknown 4 2 Net Enthalpy of Combustion Standard State (298.15)K), J/kmol -8.7454e+08 Experimental Unknown 12 2 Liquid Molar Volume at 298.15 K, m^3/kmol 0.0591294 Predicted Unknown 13 Dielectric Constant Flash Point, K 312.594 Experimental Unknown 14 2 Lower Flammability Limit, vol % in air 4 Experimental Unknown 14 3 Upper Flammability Limit, vol % in air 19.9 Experimental Unknown 14 3 Auto Ignition Termperature, K 737.039 Experimental Unknown 14 2 Enthalpy of Formation in Standard State at 298.15 K and 101325 Pa, J/kmol -4.84298e+08 Experimental < 1% 15 2 Absolute Entropy in Standard State at 298.15 K and 101325 Pa, J/kmol*K 158000 Experimental Unknown 10 2 Triple Point Temperature, K 289.69 Experimental Unknown 11 2 Triple Point Pressure, Pa Enthalpy or Heat of Sublimation, J/kmol 6.18807e+07 Predicted Unknown 16 2 ---------- Temperature Dependent Values ---------- Heat of Vaporization, J/kmol 17 106 3.67519e+07 0.729721 -0.457095 0 0 0 289.49 545.293 Predicted Unknown Ideal Gas Heat Capacity, J/kmol*K 18 107 40200 136750 1262 70030 569.7 0 289.49 1500 Predicted Unknown Liquid heat Capacity (at 1 atm below normal boiling point, saturation pressure at and above), J/kmol*K 17 100 9.50517e+06 -115839 534.077 -1.09134 0.000835713 0 289.49 391.05 Experimental Unknown Liquid Density (at 1 atm below normal boiling point, saturation pressure at and above), kmol/m^3 17 105 1.6684 0.312683 12105.6 0.310481 0 0 289.49 391.05 Experimental Unknown Liquid Thermal Conductivity (at 1 atm below normal boiling point, saturation pressure at and above), W/m*K 18 100 98.0433 -1.14739 0.00503257 -9.7885e-06 7.12282e-09 0 289.49 391.05 Predicted Unknown Absolute Liquid Viscosity (at 1 atm below normal boiling point, saturation pressure at and above), Pa*s 17 101 -10.3499 1334.96 -0.163862 2.91539e-07 0 0 289.49 391.05 Experimental Unknown Solid Heat Capacity, J/kmol*K 17 100 0 0 0 0 0 0 Unknown Solid Density, kmol/m^3 2 100 0 0 0 0 0 0 Unknown Surface Tension (at 1 atm below normal boiling point, saturation pressure at and above), N/m 17 106 0.0629643 1.33839 -0.275114 0 0 0 289.49 391.05 Predicted Unknown Solid Thermal Conductivity, W/m*K 2 100 0 0 0 0 0 0 Unknown Solid Vapor Pressure, Pa 18 101 176.557 -11379.3 -23.4052 2.51213e-05 0 0 239.49 289.49 Predicted Unknown Second Virial Coefficient, m^3/kmol 2 100 0 0 0 0 0 0 Unknown Liquid Vapor Pressure, Pa 17 101 283.469 -15881.5 -39.6497 3.50129e-05 0 0 289.49 545.293 Predicted Unknown Vapor Thermal Conductivity (at 1 atm or below), W/m*K 18 102 259.515 0.273597 2.29051e+07 1.08717e+09 0 0 391.05 792.71 Predicted Unknown Vapor Viscosity (at 1 atm or below), Pa*s 19 102 2.01602e-06 0.36101 -206.997 196004 0 0 391.05 792.71 Predicted Unknown Notes 1 T.E. Daubert and R.P. Danner. "Physical and Thermodynamic Properties of Pure Chemicals." Hemisphere Publishing Corporation. Washington, DC, USA. Year 1992. 2 Generated by MKSTest on Apr 09, 2020 at 19:21:36. 3 WARNING: FLAMMABILITY LIMITS ARE DETERMINED AT 298 K AND 1 ATMOSPHERE. HIGHER TEMPERATURES AND/OR HIGHER PRESSURES WILL LOWER THE LOWER LIMIT AND RAISE THE UPPER LIMIT. 4 D. Ambrose. "Vapour-Liquid Critical Properties." National Physical Laboratory. Great Britain. Number Chem 107, 1980. 5 Estimated using Joback Method [MKS] for the Gibbs Energy of Formation, Vapor at 298K. Referenced in: Kevin G. Joback and Robert C. Reid. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications. Volume 57, page 233-243, 1987. 6 Estimated using Definition [MKS] for the Gibbs Energy of Formation, Liquid at 298K. Referenced in: Molecular Knowledge Systems, Inc. "MKS Internal Calculation or Derivation." . 7 Allan F. M. Barton. "Handbook of Solubility Parameters and Other Cohesion Parameters." CRC Press. Boca Raton, Florida, USA. Edition 2, 1991. 8 Ralph D. Nelson, Jr., David R. Lide, Jr. and Arthur A. Maryott. "Selected Values of Electric Dipole Moments for Molecules in the Gas Phase." US Government Printing Office. Washington, DC, USA. Number 10, 1967. 9 R. A. McDonald, S. A. Shrader and D. R. Stull. "Vapor Pressures and Freezing Points of 30 Organics." Journal of Chemical and Engineering Data. Volume 4, number 4, page 311-313, 1959. 10 Eugene S. Domalski and Elizabeth D. Hearing. "Estimation of the Thermodynamic Properties of C-H-N-O-S-Halogen Compounds at 298.15." Journal of Physical and Chemical Reference Data. Volume 22, number 4, page 805-1159, 1993. 11 J. F. Martin and R. J. L. Andon. "Thermodynamic Properties of Organic Oxygen Compounds. Part LII. Molar Heat Capacity of Ethanoic, Propanoic, and Butanoic Acids." The Journal of Chemical Thermodynamics. Volume 14, number 7, page 679-688, 1982. 12 Eugene S. Domalski. "Selected Values of Heats of Combustion and Heats of Formation of Organic Compounds Containing the Elements C, H, N, O, P, and S." Journal of Physical and Chemical Reference Data. Volume 1, number 2, page 221-277, 1972. 13 The volume value was calculated from the parameters regressed for the liquid density. 14 Amy B. Spencer and Guy R. Colonna. "Fire Protection Guide to Hazardous Materials." National Fire Protection Association. Quincy, Massachusetts, USA. Edition 13, 2002. 15 Kenneth B. Wiberg and Roy F. Waldron. "Lactones. 2. Enthalpies of Hydrolysis, Reduction, and Formation of the C4-CI3 Monocyclic Lactones. Strain Energies and Conformations." Journal of the American Chemical Society. Volume 113, number 20, page 7697-7705, 1991. 16 Estimated using Goodman + Wilding + Oscarson + Rowley Method [MKS] for the Enthalpy of Sublimation at Tm. Referenced in: B. T. Goodman, W. V. Wilding, J. L. Oscarson and R. L. Rowley. "Use of the DIPPR Database for the Development of QSPR Correlations: Solid Vapor Pressure and Heat of Sublimation of Organic Compounds." International Journal of Thermophysics. Volume 25, number 2, page 337-350, 2004. 17 Parameters regressed from database data. 18 Parameters regressed from new estimates. 19 Parameters regressed from database estimates.