Home Symbol which looks like a small house Up Solid circle with an upward pointer in it


Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-293.1kJ/molN/AChao and Rossini, 1965Value computed using «DELTA»fHliquid° value of -342.7±0.6 kj/mol from Chao and Rossini, 1965 and «DELTA»vapH° value of 49.6 kj/mol from Skinner and Snelson, 1960.; DRB
Deltafgas-293. ± 1.5kJ/molCcbSkinner and Snelson, 1960ALS
Quantity Value Units Method Reference Comment
gas355.37J/mol*KN/AChao J., 1986p=1 bar. Other third-law value of entropy at 298.15 K is 357.2 J/mol*K [ Andon R.J.L., 1971]. The value of S(298.15 K)=358.5 J/mol*K was obtained from equilibrium studies [ Buckley E., 1965].; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
41.8750.Thermodynamics Research Center, 1997p=1 bar. Calculated entropy at 298.15 K is 4.1 J/mol*K higher than the third-law value. Authors [ Chao J., 1986] believe that this is greater than the expected experimental uncertainty and reflects the approximations made in the calculated value. However, it should be noted that other experimental values of S(298.15 K), 357.2 [ Andon R.J.L., 1971] and 358.5 J/mol*K [ Buckley E., 1965], are in better agreement with calculated value. Selected S(T) and Cp(T) values agree with other statistically calculated values [62BER/MCC] within 1 J/mol*K. Values calculated by [ Rodionov P.P., 1969] are up to 9 and 11 J/mol*K lower than selected ones fo Cp(T) and S(T) values, respectively. Please also see Chao J., 1986.; GT
112.74 ± 0.17298.15

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
131.71 ± 0.40365.15Stromsoe E., 1970Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 0.67 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Berman N.S., 1962.; GT
137.87 ± 0.67380.95
136.52 ± 0.41383.15
139.10 ± 0.67386.25
140.85 ± 0.67393.75
141.46 ± 0.42401.15
143.50 ± 0.67405.15
143.74 ± 0.67406.15
146.32 ± 0.67417.25
146.23 ± 0.44419.15
150.96 ± 0.45437.15
151.79 ± 0.67440.75
155.64 ± 0.47455.15
158.81 ± 0.67470.85
169.31 ± 0.67515.95
179.65 ± 0.67560.35
184.89 ± 0.67582.85


Go To: Top, Gas phase thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Skinner and Snelson, 1960
Skinner, H.A.; Snelson, A., The heats of combustion of the four isomeric butyl alcohols, Trans. Faraday Soc., 1960, 56, 1776-1783. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Andon R.J.L., 1971
Andon R.J.L., Thermodynamic properties of organic oxygen compounds. Part XXVII. (+/-)-Butan-2-ol and (+)-butan-2-ol, J. Chem. Soc. A, 1971, 661-664. [all data]

Buckley E., 1965
Buckley E., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Rodionov P.P., 1969
Rodionov P.P., Thermodynamic functions of 2-butanol (d,l), Izv. Vyssh. Ucheb. Zaved., Khim. Khim. Tekhnol., 1969, 12, 1214-1218. [all data]

Stromsoe E., 1970
Stromsoe E., Heat capacity of alcohol vapors at atmospheric pressure, J. Chem. Eng. Data, 1970, 15, 286-290. [all data]

Berman N.S., 1962
Berman N.S., Thermodynamic properties of 2-butanol, J. Phys. Chem., 1962, 66, 1444-1448. [all data]


Go To: Top, Gas phase thermochemistry data, References