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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes

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

Quantity Value Units Method Reference Comment
Deltafgas716.68 ± 0.45kJ/molReviewCox, Wagman, et al., 1984CODATA Review value
Deltafgas716.67kJ/molReviewChase, 1998Data last reviewed in March, 1983
Quantity Value Units Method Reference Comment
gas,1 bar158.100 ± 0.003J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar158.10J/mol*KReviewChase, 1998Data last reviewed in March, 1983

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 6000.
A 21.17510
B -0.812428
C 0.448537
D -0.043256
E -0.013103
F 710.3470
G 183.8734
H 716.6690
ReferenceChase, 1998
Comment Data last reviewed in March, 1983

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes

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

Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
solid,1 bar5.833J/mol*KN/ATakahashi and Westrum, 1970amorphous phase; Values actually S-S0; there may be a residual entropy.
solid,1 bar6.201J/mol*KN/ALutcov, Volga, et al., 1970T2 extrapolation below 50 K.

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
10.68350.Dobrosavljevic, Perovic, et al., 1987T = 300 to 1800 K.
9.251298.15Lutcov, Volga, et al., 1970T = 52 to 302 K.
8.598298.15Takahashi and Westrum, 1970amorphous phase; T = 5-350 K.

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes

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

Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tboil4100.KN/AHonig and Kramer, 1969Uncertainty assigned by TRC = 100. K
Quantity Value Units Method Reference Comment
Tc7020.5KN/AChang, Ryoo, et al., 1985 
Quantity Value Units Method Reference Comment
Pc7967.19barN/AChang, Ryoo, et al., 1985 
Quantity Value Units Method Reference Comment
Vc0.02662l/molN/AChang, Ryoo, et al., 1985 

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

(Carbon cation bullet 8carbon) + carbon = (Carbon cation bullet 9carbon)

By formula: (C+ bullet 8C) + C = (C+ bullet 9C)

Quantity Value Units Method Reference Comment
Deltar703.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M
Deltar745. ± 96.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(Carbon cation bullet 6carbon) + carbon = (Carbon cation bullet 7carbon)

By formula: (C+ bullet 6C) + C = (C+ bullet 7C)

Quantity Value Units Method Reference Comment
Deltar649.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M
Deltar523.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(C4- bullet 4294967295carbon) + carbon = C4-

By formula: (C4- bullet 4294967295C) + C = C4-

Quantity Value Units Method Reference Comment
Deltar676. ± 15.kJ/molN/AArnold, Bradforth, et al., 1991gas phase; Linear structure for both anion and neutral. Bound state 37.063 kcal/mol up: Zhao, de Beer, et al., 1996; B

4sodium + Ethene, chlorotrifluoro- = 2carbon + sodium chloride + 3sodium fluoride

By formula: 4Na + C2ClF3 = 2C + ClNa + 3FNa

Quantity Value Units Method Reference Comment
Deltar-1576.1 ± 5.4kJ/molCmKolesov, Zenkov, et al., 1963gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -1543. ± 5.4 kJ/mol; ALS

(C6- bullet 4294967295carbon) + carbon = C6-

By formula: (C6- bullet 4294967295C) + C = C6-

Quantity Value Units Method Reference Comment
Deltar-59. ± 24.kJ/molN/AArnold, Zhao, et al., 1992gas phase; There is a bound state at 47.107 kcal/mol up; Zhao, de Beer, et al., 1996; B

(C7- bullet 4294967295carbon) + carbon = C7-

By formula: (C7- bullet 4294967295C) + C = C7-

Quantity Value Units Method Reference Comment
Deltar478. ± 31.kJ/molN/AArnold, Bradforth, et al., 1991gas phase; Linear structure for both neutral and anion; B

(C3- bullet 4294967295carbon) + carbon = C3-

By formula: (C3- bullet 4294967295C) + C = C3-

Quantity Value Units Method Reference Comment
Deltar66.5 ± 8.4kJ/molN/AArnold, Bradforth, et al., 1991gas phase; Linear structure for both neutral and anion; B

(Carbon cation bullet carbon) + carbon = (Carbon cation bullet 2carbon)

By formula: (C+ bullet C) + C = (C+ bullet 2C)

Quantity Value Units Method Reference Comment
Deltar774. ± 67.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon anion bullet 2carbon) + carbon = (Carbon anion bullet 3carbon)

By formula: (C- bullet 2C) + C = (C- bullet 3C)

Quantity Value Units Method Reference Comment
Deltar703. ± 8.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon anion bullet 3carbon) + carbon = (Carbon anion bullet 4carbon)

By formula: (C- bullet 3C) + C = (C- bullet 4C)

Quantity Value Units Method Reference Comment
Deltar630. ± 20.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon anion bullet carbon) + carbon = (Carbon anion bullet 2carbon)

By formula: (C- bullet C) + C = (C- bullet 2C)

Quantity Value Units Method Reference Comment
Deltar628. ± 8.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon cation bullet 2carbon) + carbon = (Carbon cation bullet 3carbon)

By formula: (C+ bullet 2C) + C = (C+ bullet 3C)

Quantity Value Units Method Reference Comment
Deltar598.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon cation bullet 3carbon) + carbon = (Carbon cation bullet 4carbon)

By formula: (C+ bullet 3C) + C = (C+ bullet 4C)

Quantity Value Units Method Reference Comment
Deltar695.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon cation bullet 4carbon) + carbon = (Carbon cation bullet 5carbon)

By formula: (C+ bullet 4C) + C = (C+ bullet 5C)

Quantity Value Units Method Reference Comment
Deltar628.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon cation bullet 5carbon) + carbon = (Carbon cation bullet 6carbon)

By formula: (C+ bullet 5C) + C = (C+ bullet 6C)

Quantity Value Units Method Reference Comment
Deltar745.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon cation bullet 7carbon) + carbon = (Carbon cation bullet 8carbon)

By formula: (C+ bullet 7C) + C = (C+ bullet 8C)

Quantity Value Units Method Reference Comment
Deltar753.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon anion bullet 4carbon) + carbon = (Carbon anion bullet 5carbon)

By formula: (C- bullet 4C) + C = (C- bullet 5C)

Quantity Value Units Method Reference Comment
Deltar715.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon anion bullet 5carbon) + carbon = (Carbon anion bullet 6carbon)

By formula: (C- bullet 5C) + C = (C- bullet 6C)

Quantity Value Units Method Reference Comment
Deltar649.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon anion bullet 6carbon) + carbon = (Carbon anion bullet 7carbon)

By formula: (C- bullet 6C) + C = (C- bullet 7C)

Quantity Value Units Method Reference Comment
Deltar686.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon anion bullet 7carbon) + carbon = (Carbon anion bullet 8carbon)

By formula: (C- bullet 7C) + C = (C- bullet 8C)

Quantity Value Units Method Reference Comment
Deltar657.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon anion bullet 8carbon) + carbon = (Carbon anion bullet 9carbon)

By formula: (C- bullet 8C) + C = (C- bullet 9C)

Quantity Value Units Method Reference Comment
Deltar665.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

Cyclobutane, octafluoro- + 4sodium = 4carbon + 8sodium fluoride

By formula: C4F8 + 4Na = 4C + 8FNa

Quantity Value Units Method Reference Comment
Deltar-2989. ± 9.2kJ/molCcbKolesov, Talakin, et al., 1968gas phase; Correction of Kolesov, Talakin, et al., 1964; ALS

Carbon cation + carbon = (Carbon cation bullet carbon)

By formula: C+ + C = (C+ bullet C)

Quantity Value Units Method Reference Comment
Deltar619. ± 50.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

Carbon anion + carbon = (Carbon anion bullet carbon)

By formula: C- + C = (C- bullet C)

Quantity Value Units Method Reference Comment
Deltar812. ± 8.kJ/molMSPargellis, 1990gas phase; equilibrium cluster distributions from sputtering; M

(Carbon cation bullet 6carbon) + Tricarbon = (Carbon cation bullet Tricarbon bullet 6carbon)

By formula: (C+ bullet 6C) + C3 = (C+ bullet C3 bullet 6C)

Quantity Value Units Method Reference Comment
Deltar695. ± 96.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(Carbon cation bullet 7carbon) + Tricarbon = (Carbon cation bullet Tricarbon bullet 7carbon)

By formula: (C+ bullet 7C) + C3 = (C+ bullet C3 bullet 7C)

Quantity Value Units Method Reference Comment
Deltar724. ± 96.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(Unknown chemical species bullet 4294967295carbon) + carbon = Unknown chemical species

By formula: (Unknown chemical species bullet 4294967295C) + C = Unknown chemical species

Quantity Value Units Method Reference Comment
Deltar385.7 ± 1.0kJ/molTherKasdan, Herbst, et al., 1975gas phase; B

(Carbon cation bullet 2carbon) + Dicarbon = (Carbon cation bullet Dicarbon bullet 2carbon)

By formula: (C+ bullet 2C) + C2 = (C+ bullet C2 bullet 2C)

Quantity Value Units Method Reference Comment
Deltar745.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(Carbon cation bullet 2carbon) + Tricarbon = (Carbon cation bullet Tricarbon bullet 2carbon)

By formula: (C+ bullet 2C) + C3 = (C+ bullet C3 bullet 2C)

Quantity Value Units Method Reference Comment
Deltar531.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(Carbon cation bullet 3carbon) + Tricarbon = (Carbon cation bullet Tricarbon bullet 3carbon)

By formula: (C+ bullet 3C) + C3 = (C+ bullet C3 bullet 3C)

Quantity Value Units Method Reference Comment
Deltar502.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(Carbon cation bullet 4carbon) + Tricarbon = (Carbon cation bullet Tricarbon bullet 4carbon)

By formula: (C+ bullet 4C) + C3 = (C+ bullet C3 bullet 4C)

Quantity Value Units Method Reference Comment
Deltar502.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(Carbon cation bullet 5carbon) + Tricarbon = (Carbon cation bullet Tricarbon bullet 5carbon)

By formula: (C+ bullet 5C) + C3 = (C+ bullet C3 bullet 5C)

Quantity Value Units Method Reference Comment
Deltar510.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

(CAS Reg. No. 146831-35-8 bullet 4294967295carbon) + carbon = CAS Reg. No. 146831-35-8

By formula: (CAS Reg. No. 146831-35-8 bullet 4294967295C) + C = CAS Reg. No. 146831-35-8

Quantity Value Units Method Reference Comment
Deltar587. ± 21.kJ/molN/AKitsopoulos, Chick, et al., 1991gas phase; B

(Carbon cation bullet 9carbon) + carbon = (Carbon cation bullet 10carbon)

By formula: (C+ bullet 9C) + C = (C+ bullet 10C)

Quantity Value Units Method Reference Comment
Deltar732. ± 96.kJ/molMIKESRadi, Rincon, et al., 1989gas phase; M

Ethene, tetrafluoro- + 2Hydrogen = 2carbon + 4hydrogen fluoride

By formula: C2F4 + 2H2 = 2C + 4HF

Quantity Value Units Method Reference Comment
Deltar-618.4 ± 4.6kJ/molChydNeugebauer and Margrave, 1956gas phase; ALS

4sodium + Tetrafluoromethane = carbon + 4sodium fluoride

By formula: 4Na + CF4 = C + 4FNa

Quantity Value Units Method Reference Comment
Deltar-1362. ± 9.2kJ/molCcbVorob'ev and Skuratov, 1960gas phase; ALS

8sodium + Perfluoropropane = 3carbon + 8sodium fluoride

By formula: 8Na + C3F8 = 3C + 8FNa

Quantity Value Units Method Reference Comment
Deltar-2761. ± 7.1kJ/molCcbKolesov, Talakin, et al., 1967gas phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Takahashi and Westrum, 1970
Takahashi, Y.; Westrum, E.F., Jr., Glassy carbon. Low-temperature thermodynamic properties, J. Chem. Thermodynam., 1970, 2, 847-854. [all data]

Lutcov, Volga, et al., 1970
Lutcov, A.I.; Volga, V.I.; Dymov, B.K., Thermal conductivity, electric resistivity and specific heat of dense graphites, Carbon, 1970, 8, 753-760. [all data]

Dobrosavljevic, Perovic, et al., 1987
Dobrosavljevic, A.; Perovic, N.; Maglic, K., Thermophysical properties of POCO AXM-5Q1 graphite in the 300 to 1800 K range, High Temperatures-High Pressures, 1987, 19, 303-310. [all data]

Honig and Kramer, 1969
Honig, R.E.; Kramer, D.A., Vapor pressure data for the solid and liquid elements, RCA Rev., 1969, 1969, 285. [all data]

Chang, Ryoo, et al., 1985
Chang, M.C.; Ryoo, R.; Jhon, M.S., Thermodynamic Properties of Liquid Carbon, Carbon, 1985, 23, 5, 481. [all data]

Pargellis, 1990
Pargellis, A.N., Estimating Carbon Cluster Binding Energies from Measured Cn Distributions, n <= 10, J. Chem. Phys., 1990, 93, 3, 2099, https://doi.org/10.1063/1.459035 . [all data]

Radi, Rincon, et al., 1989
Radi, P.P.; Rincon, M.E.; Hsu, M.T.; Brodbelt-Lustig, J.; Kemper, P.; Bowers, M.T., Structure, Reactivity and Energetics of Covalently Bound Carbon Cluster Ions, C5+ to C11+: Experiment and Theory, J. Phys. Chem., 1989, 93, 16, 6187, https://doi.org/10.1021/j100353a045 . [all data]

Arnold, Bradforth, et al., 1991
Arnold, D.W.; Bradforth, S.E.; Kitsopoulos, T.N.; Neumark, D.M., Vibrationally Resolved Spectra of C2-C11 by Anion Photoelectron Spectroscopy, J. Chem. Phys., 1991, 95, 12, 8753, https://doi.org/10.1063/1.461211 . [all data]

Zhao, de Beer, et al., 1996
Zhao, Y.; de Beer, E.; Xu, C.; Taylor, T.; Neumark, D.M., Spectroscopy and Electron Detachment Dynamics of C4-, C6- and C8-, J. Chem. Phys., 1996, 105, 12, 4905, https://doi.org/10.1063/1.472341 . [all data]

Kolesov, Zenkov, et al., 1963
Kolesov, V.P.; Zenkov, I.D.; Skuratov, S.M., Standard enthalpy of formation of chlorotrifluoroethylene, Russ. J. Phys. Chem. (Engl. Transl.), 1963, 37, 115-116. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Arnold, Zhao, et al., 1992
Arnold, C.C.; Zhao, Y.X.; Kitsopoulos, T.N.; Neumark, D.M., Study of C6(-) and C6 with Threshold Photodetachment Spectroscopy and Autodetachment Spectroscopy, J. Chem. Phys., 1992, 97, 9, 6121, https://doi.org/10.1063/1.463722 . [all data]

Kolesov, Talakin, et al., 1968
Kolesov, V.P.; Talakin, O.G.; Skuratov, S.M., Enthalpy of formation of some specimens of amorphous carbon, Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 1218-1220. [all data]

Kolesov, Talakin, et al., 1964
Kolesov, V.P.; Talakin, O.G.; Skuratov, S.M., Standard enthalpy of formation of perfluorocyclobutane, Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 930-931. [all data]

Kasdan, Herbst, et al., 1975
Kasdan, A.; Herbst, E.; Lineberger, W.C., Laser photoelectron spectrometry of CH2-, Chem. Phys. Lett., 1975, 31, 78. [all data]

Kitsopoulos, Chick, et al., 1991
Kitsopoulos, T.N.; Chick, C.J.; Zhao, Y.; Neumark, D.M., Threshold Photodetachment Spectroscopy of C-5(-), J. Chem. Phys., 1991, 95, 7, 5479, https://doi.org/10.1063/1.461664 . [all data]

Neugebauer and Margrave, 1956
Neugebauer, C.A.; Margrave, J.L., The heats of formation of tetrafluoroethylene, tetrafluoromethane and 1,1-difluoroethylene, J. Phys. Chem., 1956, 60, 1318-1321. [all data]

Vorob'ev and Skuratov, 1960
Vorob'ev, A.F.; Skuratov, S.M., Standard enthalpies of formation of CF4, Zh. Neorg. Khim., 1960, 5, 1398-1401. [all data]

Kolesov, Talakin, et al., 1967
Kolesov, V.P.; Talakin, O.G.; Skuratov, S.M., Standard enthalpy of formation of perfluoropropane and enthalpies of formation of normal perfluoroalkanes, Vestn. Mosk. Univ. Khim., 1967, 22, 38-42. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References