Propane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
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
ΔfH°gas-25.02 ± 0.12kcal/molCcbPittam and Pilcher, 1972ALS
ΔfH°gas-24.82 ± 0.14kcal/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; ALS
Quantity Value Units Method Reference Comment
ΔcH°gas-530.39 ± 0.11kcal/molCcbPittam and Pilcher, 1972Corresponding ΔfHºgas = -25.02 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°gas-526.78 ± 0.13kcal/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -28.63 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°gas-530.57 ± 0.12kcal/molCcbRossini, 1934Corresponding ΔfHºgas = -24.84 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°gas-527.4kcal/molCcbGuinchant, 1918Corresponding ΔfHºgas = -28.0 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.14150.Chao J., 1973Recommended values are in good agreement with those calculated by [ Pitzer K.S., 1944].; GT
9.871100.
11.66150.
13.40200.
16.43273.15
17.59298.15
17.67300.
22.47400.
26.910500.
30.760600.
34.099700.
36.991800.
39.520900.
41.7301000.
43.6591100.
45.3491200.
46.8091300.
48.0901400.
49.2091500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
11.69148.2Ernst G., 1970Please also see Kistiakowsky G.B., 1940, Kistiakowsky G.B., 1940, 2, Dailey B.P., 1943.; GT
12.04157.8
14.00213.1
14.17219.2
15.75258.0
16.19272.38
17.37 ± 0.02293.15
17.58300.37
18.19 ± 0.02313.15
19.19 ± 0.02333.15
19.25334.05
19.66343.65
20.17 ± 0.02353.15
20.36360.05
20.90368.55
21.62387.75
25.069452.55
27.890521.15
29.099561.95
30.750603.25
33.609693.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
ΔfH°liquid-28.64 ± 0.14kcal/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; ALS
Quantity Value Units Method Reference Comment
S°liquid40.87cal/mol*KN/AKemp and Egan, 1938Debye extrapolation, 0 to 15 K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
23.51230.Vas'kov, 1982T = 90 to 230 K. Cp given as 2.2305 J/g*K.; DH
28.59300.Goodwin, 1978T = 81 to 289 K. Cp data reported for an extended data set; unsmoothed experimental datum.; DH
23.49230.Kemp and Egan, 1938T = 15 to 230 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil231.1 ± 0.2KAVGN/AAverage of 17 out of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus85.5KN/AStreng, 1971Uncertainty assigned by TRC = 0.2 K; TRC
Tfus85.46KN/AKlipping and Schmidt, 1965Uncertainty assigned by TRC = 0.2 K; TRC
Tfus83.25KN/AHarteck and Edse, 1938Uncertainty assigned by TRC = 0.5 K; TRC
Tfus86.05KN/AHicks-Brunn and Bruun, 1936Uncertainty assigned by TRC = 0.15 K; TRC
Tfus85.35KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple85. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ptriple1.663×10-9atmN/AYounglove and Ely, 1987Uncertainty assigned by TRC = 1.×10-12 atm; TRC
Ptriple1.6674×10-9atmN/AGoodwin and Haynes, 1982TRC
Quantity Value Units Method Reference Comment
Tc369.9 ± 0.2KAVGN/AAverage of 30 out of 37 values; Individual data points
Quantity Value Units Method Reference Comment
Pc42.0 ± 0.1atmAVGN/AAverage of 25 out of 32 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.200l/molN/AAmbrose and Tsonopoulos, 1995 
Vc0.2l/molN/AYounglove and Ely, 1987Uncertainty assigned by TRC = 0.001 l/mol; TRC
Vc0.198l/molN/ABarber, Kay, et al., 1982Uncertainty assigned by TRC = 0.004 l/mol; TRC
Vc0.202l/molN/AMeyer, 1941Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc5.1 ± 0.4mol/lAVGN/AAverage of 14 out of 15 values; Individual data points
Quantity Value Units Method Reference Comment
ΔvapH°3.884kcal/molN/AMajer and Svoboda, 1985 

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.4871231.04N/AKemp and Egan, 1938DH
4.551231.1N/AMajer and Svoboda, 1985 
4.49293.AStephenson and Malanowski, 1987Based on data from 278. to 332. K.; AC
4.66233.AStephenson and Malanowski, 1987Based on data from 165. to 248. K.; AC
5.28150.AStephenson and Malanowski, 1987Based on data from 104. to 165. K.; AC
4.54266.AStephenson and Malanowski, 1987Based on data from 231. to 281. K.; AC
4.59344.AStephenson and Malanowski, 1987Based on data from 329. to 369. K.; AC
4.52327.N/AMajer, Sváb, et al., 1980Based on data from 312. to 367. K.; AC
4.486256.N/AReid, 1972AC
4.78216.N/AReidel, 1938Based on data from 166. to 231. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 278. to 361.
A (kcal/mol) 6.67
α 0.0208
β 0.3766
Tc (K) 369.8
ReferenceMajer and Svoboda, 1985

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
19.42231.04Kemp and Egan, 1938DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
277.6 to 360.84.531071149.3624.906Helgeson and Sage, 1967Coefficents calculated by NIST from author's data.
230.6 to 320.73.97721819.296-24.417Rips, 1963Coefficents calculated by NIST from author's data.
166.02 to 231.414.00587834.26-22.763Kemp and Egan, 1938Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
6.8186.BBondi, 1963AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
0.83985.5ACPerkins, Ochoa, et al., 2009AC
0.84185.5N/AAcree, 1991AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
45.5crystalineglassTakeda, Oguni, et al., 1990DH

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.842385.45crystaline, IliquidKemp and Egan, 1938DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
9.85785.45crystaline, IliquidKemp and Egan, 1938DH

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, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões

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

C3H7- + Hydrogen cation = Propane

By formula: C3H7- + H+ = C3H8

Quantity Value Units Method Reference Comment
ΔrH°419.4 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
ΔrH°419.5 ± 4.8kcal/molBranPeerboom, Rademaker, et al., 1992gas phase; B
ΔrH°419.0 ± 2.0kcal/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°411.4 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B
ΔrG°411.5 ± 4.9kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B

Propene + Hydrogen = Propane

By formula: C3H6 + H2 = C3H8

Quantity Value Units Method Reference Comment
ΔrH°-29.5 ± 1.2kcal/molChydKistiakowsky and Nickle, 1951gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.85 ± 0.50 kcal/mol; ALS
ΔrH°-29.87 ± 0.10kcal/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -30.115 ± 0.013 kcal/mol; At 355 °K; ALS

Hydrogen + Propane, 2-fluoro- = Propane + hydrogen fluoride

By formula: H2 + C3H7F = C3H8 + HF

Quantity Value Units Method Reference Comment
ΔrH°-20.20 ± 0.30kcal/molChydLacher, Kianpour, et al., 1956gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -21.11 ± 0.69 kcal/mol; %hf298_gas[kcal/mol]=-66.97±0.71; Kolesov and Kozina, 1986; ALS

Hydrogen + n-Propyl fluoride = Propane + hydrogen fluoride

By formula: H2 + C3H7F = C3H8 + HF

Quantity Value Units Method Reference Comment
ΔrH°-22.00 ± 0.50kcal/molChydLacher, Kianpour, et al., 1956gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -22.9 ± 1.6 kcal/mol; %hf298_gas[kcal/mol]=-66.71±0.62; Kolesov and Kozina, 1986; ALS

2Hydrogen + Propane, 1,2-dichloro- = Propane + 2Hydrogen chloride

By formula: 2H2 + C3H6Cl2 = C3H8 + 2HCl

Quantity Value Units Method Reference Comment
ΔrH°-30.24 ± 0.26kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -31.21 ± 0.13 kcal/mol; At 250 C; ALS

2Hydrogen + Propyne = Propane

By formula: 2H2 + C3H4 = C3H8

Quantity Value Units Method Reference Comment
ΔrH°-69.22 ± 0.15kcal/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -69.03 ± 0.14 kcal/mol; At 355 K; ALS

2Hydrogen + Allene = Propane

By formula: 2H2 + C3H4 = C3H8

Quantity Value Units Method Reference Comment
ΔrH°-70.54 ± 0.25kcal/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -71.28 ± 0.20 kcal/mol; At 355 °K; ALS

Hydrogen + Propane, 2-bromo- = Hydrogen bromide + Propane

By formula: H2 + C3H7Br = HBr + C3H8

Quantity Value Units Method Reference Comment
ΔrH°-10.85 ± 0.22kcal/molChydDavies, Lacher, et al., 1965gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -10.77 kcal/mol; ALS

EtCH2 anion + Hydrogen cation = Propane

By formula: C3H7- + H+ = C3H8

Quantity Value Units Method Reference Comment
ΔrH°415.6 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°407.2 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B

C3H7+ + Propane = (C3H7+ • Propane)

By formula: C3H7+ + C3H8 = (C3H7+ • C3H8)

Quantity Value Units Method Reference Comment
ΔrH°13.6kcal/molPHPMSSunner, Hirao, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°29.4cal/mol*KPHPMSSunner, Hirao, et al., 1989gas phase; M

C4H9+ + Propane = (C4H9+ • Propane)

By formula: C4H9+ + C3H8 = (C4H9+ • C3H8)

Quantity Value Units Method Reference Comment
ΔrH°6.6kcal/molPHPMSSunner, Hirao, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.3cal/mol*KPHPMSSunner, Hirao, et al., 1989gas phase; M

Iron ion (1+) + Propane = (Iron ion (1+) • Propane)

By formula: Fe+ + C3H8 = (Fe+ • C3H8)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
17.9 (+1.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Cobalt ion (1+) + Propane = (Cobalt ion (1+) • Propane)

By formula: Co+ + C3H8 = (Co+ • C3H8)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
30.8 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

C3H7BrMg (solution) + Hydrogen bromide (g) = Propane (solution) + Br2Mg (solution)

By formula: C3H7BrMg (solution) + HBr (g) = C3H8 (solution) + Br2Mg (solution)

Quantity Value Units Method Reference Comment
ΔrH°-73.11 ± 0.53kcal/molRSCHolm, 1981solvent: Diethyl ether; MS

C5O5W (g) + Propane (g) = C8H8O5W (g)

By formula: C5O5W (g) + C3H8 (g) = C8H8O5W (g)

Quantity Value Units Method Reference Comment
ΔrH°-8.1 ± 2.0kcal/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS

Hydrogen + n-Propyl chloride = Propane + Hydrogen chloride

By formula: H2 + C3H7Cl = C3H8 + HCl

Quantity Value Units Method Reference Comment
ΔrH°-15.73 ± 0.16kcal/molChydDavies, Lacher, et al., 1965gas phase; ALS

Hydrogen + Propane, 2-chloro- = Propane + Hydrogen chloride

By formula: H2 + C3H7Cl = C3H8 + HCl

Quantity Value Units Method Reference Comment
ΔrH°-13.94 ± 0.17kcal/molChydDavies, Lacher, et al., 1965gas phase; ALS

Propane, 1-bromo- + Hydrogen = Hydrogen bromide + Propane

By formula: C3H7Br + H2 = HBr + C3H8

Quantity Value Units Method Reference Comment
ΔrH°-13.57kcal/molChydDavies, Lacher, et al., 1965gas phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
IE (evaluated)10.94 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)149.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity145.3kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11. ± 1.PIAu, Cooper, et al., 1993LL
10.96ESTLuo and Pacey, 1992LL
10.9 ± 0.1PEBieri, Burger, et al., 1977LLK
11.27 ± 0.05EIFlesch and Svec, 1973LLK
11.01 ± 0.07EIFinney and Harrison, 1972LLK
10.94 ± 0.05TEStockbauer and Inghram, 1971LLK
10.97PIVlaskov and Ovchinnikov, 1969RDSH
11.06PEDewar and Worley, 1969RDSH
11.09 ± 0.05EIWilliams and Hamill, 1968RDSH
11.12CICermak, 1968RDSH
10.95 ± 0.05PIChupka and Berkowitz, 1967RDSH
11.22EILifshitz and Shapiro, 1966RDSH
11.07PETurner and Al-Joboury, 1964RDSH
11.07PEAl-Joboury and Turner, 1964RDSH
11.51PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.5PEBieri and Asbrink, 1980Vertical value; LLK
11.5 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK
11.5PEMurrell and Schmidt, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH+40. ± 1.?PIAu, Cooper, et al., 1993LL
CH+26. ± 1.C2H5++H2EIEhrhardt and Tekaat, 1964RDSH
CH2+25. ± 1.?PIAu, Cooper, et al., 1993LL
CH3+21. ± 1.C2H5PIAu, Cooper, et al., 1993LL
CH3+30. ± 1.C2H5EIFuchs, 1972LLK
CH3+14.0 ± 0.5C2H5EIAppell, Durup, et al., 1966RDSH
CH3+22.0 ± 0.5C2H5+EIEhrhardt and Tekaat, 1964RDSH
CH3+25.0 ± 0.5C2H+3+H2EIEhrhardt and Tekaat, 1964RDSH
C2H+32. ± 1.?PIAu, Cooper, et al., 1993LL
C2H+30.4 ± 0.5C+3+2H2EIEhrhardt and Tekaat, 1964RDSH
C2H2+15. ± 1.?PIAu, Cooper, et al., 1993LL
C2H2+14.1 ± 0.15CH4+H2EIEhrhardt and Tekaat, 1964RDSH
C2H2+29. ± 1.CH+3+H2+HEIEhrhardt and Tekaat, 1964RDSH
C2H3+14. ± 1.?PIAu, Cooper, et al., 1993LL
C2H3+14.5 ± 0.15?EIEhrhardt and Tekaat, 1964RDSH
C2H3+25.0 ± 0.5CH+3+H2EIEhrhardt and Tekaat, 1964RDSH
C2H4+11. ± 1.CH4PIAu, Cooper, et al., 1993LL
C2H4+11.69 ± 0.03CH4PIPECOGilman, Hsieh, et al., 1982LBLHLM
C2H4+11.52CH4EIWolkoff and Holmes, 1978LLK
C2H4+11.55CH4EIHickling and Jennings, 1970RDSH
C2H4+11.9CH4EIHickling and Jennings, 1970RDSH
C2H4+11.72 ± 0.02CH4PIChupka and Berkowitz, 1967RDSH
C2H4+11.5 ± 0.1CH4EILifshitz and Shapiro, 1966RDSH
C2H4+11.70CH4EILifshitz and Shapiro, 1966RDSH
C2H4+27.2 ± 0.5CH2++H2?EIEhrhardt and Tekaat, 1964RDSH
C2H5+11. ± 1.CH3PIAu, Cooper, et al., 1993LL
C2H5+12.02 ± 0.05CH3EIWilliams and Hamill, 1968RDSH
C2H5+11.90 ± 0.08CH3PIChupka and Berkowitz, 1967RDSH
C2H5+21. ± 2.CH3+EIEhrhardt and Tekaat, 1964RDSH
C2H5+26.9 ± 0.5CH++H2EIEhrhardt and Tekaat, 1964RDSH
C3H+29. ± 1.?PIAu, Cooper, et al., 1993LL
C3H2+26. ± 1.?PIAu, Cooper, et al., 1993LL
C3H3+17. ± 1.?PIAu, Cooper, et al., 1993LL
C3H4+15. ± 1.?PIAu, Cooper, et al., 1993LL
C3H5+14. ± 1.H2+HPIAu, Cooper, et al., 1993LL
C3H5+14.76H2+HEIOmura, 1961RDSH
C3H6+12. ± 1.H2PIAu, Cooper, et al., 1993LL
C3H6+11.75 ± 0.05H2PIChupka and Berkowitz, 1967RDSH
C3H7+11. ± 1.HPIAu, Cooper, et al., 1993LL
C3H7+11.57 ± 0.05HEIWilliams and Hamill, 1968RDSH
C3H7+11.59 ± 0.01HPIChupka and Berkowitz, 1967RDSH
C3H7+~11.0H-PIChupka and Berkowitz, 1967RDSH
C3H7+11.52HEILifshitz and Shapiro, 1966RDSH
C3H7+11.59 ± 0.03HPISteiner, Giese, et al., 1961RDSH
H+22. ± 1.?PIAu, Cooper, et al., 1993LL
H+20.0 ± 0.3?EIEhrhardt and Tekaat, 1964RDSH
H2+43. ± 1.?PIAu, Cooper, et al., 1993LL
H2+16.4 ± 0.5?EIEhrhardt and Tekaat, 1964RDSH
H3+32. ± 1.?EIFuchs, 1972LLK

De-protonation reactions

C3H7- + Hydrogen cation = Propane

By formula: C3H7- + H+ = C3H8

Quantity Value Units Method Reference Comment
ΔrH°419.4 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
ΔrH°419.5 ± 4.8kcal/molBranPeerboom, Rademaker, et al., 1992gas phase; B
ΔrH°419.0 ± 2.0kcal/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°411.4 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B
ΔrG°411.5 ± 4.9kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B

EtCH2 anion + Hydrogen cation = Propane

By formula: C3H7- + H+ = C3H8

Quantity Value Units Method Reference Comment
ΔrH°415.6 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°407.2 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
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NIST MS number 18863

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Pittam and Pilcher, 1972
Pittam, D.A.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 8.-Methane, ethane, propane, n-butane and 2-methylpropane, J. Chem. Soc. Faraday Trans. 1, 1972, 68, 2224-2229. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Rossini, 1934
Rossini, F.D., Calorimetric determination of the heats of combustion of ethane, propane, normal butane, and normal pentane, J. Res. NBS, 1934, 12, 735-750. [all data]

Guinchant, 1918
Guinchant, M.J., Etude sur la fonction acide dans les derives metheniques et methiniques, Ann. Chem., 1918, 10, 30-84. [all data]

Chao J., 1973
Chao J., Ideal gas thermodynamic properties of ethane and propane, J. Phys. Chem. Ref. Data, 1973, 2, 427-438. [all data]

Pitzer K.S., 1944
Pitzer K.S., Thermodynamics of gaseous paraffins. Specific heat and related properties, Ind. Eng. Chem., 1944, 36, 829-831. [all data]

Ernst G., 1970
Ernst G., Ideal and real gas state heat capacities Cp of C3H8, i-C4H10, C2F5Cl, CH2ClCF3, CF2ClCFCl2, and CHF2Cl, J. Chem. Thermodyn., 1970, 2, 787-791. [all data]

Kistiakowsky G.B., 1940
Kistiakowsky G.B., The low temperature gaseous heat capacities of certain C3 hydrocarbons, J. Chem. Phys., 1940, 8, 970-977. [all data]

Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B., Gaseous heat capacities. II, J. Chem. Phys., 1940, 8, 610-618. [all data]

Dailey B.P., 1943
Dailey B.P., The heat capacities at higher temperatures of ethane and propane, J. Am. Chem. Soc., 1943, 65, 42-44. [all data]

Kemp and Egan, 1938
Kemp, J.D.; Egan, C.J., Hindered rotation of the methyl groups in propane. The heat capacity, vapor pressure, heats of fusion and vaporization of propane. Entropy and density of the gas, J. Am. Chem. Soc., 1938, 60, 1521-1525. [all data]

Vas'kov, 1982
Vas'kov, E.T., Heat capacity of propane, Deposited Doc., 1982, VINITI 1728-82, 1-15. [all data]

Goodwin, 1978
Goodwin, R.D., Specific heats of saturated and compressed liquid propane, J. Res., 1978, NBS 83, 449-458. [all data]

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Klipping and Schmidt, 1965
Klipping, G.; Schmidt, F., Temperature Measurement with the Vapor Pressure Thermometer, Kaeltetechnik, 1965, 17, 382-4. [all data]

Harteck and Edse, 1938
Harteck, P.; Edse, R., Vapor-pressure Measurement of Propane, Z. Phys. Chem., Abt. A, 1938, 182, 220. [all data]

Hicks-Brunn and Bruun, 1936
Hicks-Brunn, M.M.; Bruun, J.H., The Freezing and Boiling Point of Propane, J. Am. Chem. Soc., 1936, 58, 810-2. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Younglove and Ely, 1987
Younglove, B.A.; Ely, J.F., Thermophysical Properties of Fluids II. Methane, Ethane, Propane, Isobutane, and Normal Butane, J. Phys. Chem. Ref. Data, 1987, 16, 577. [all data]

Goodwin and Haynes, 1982
Goodwin, R.D.; Haynes, W.M., Thermophysical Properties of Propane from 85 to 700 K at Pressures to 70 MPa, NBS Monogr. (U. S.) No. 170, 249 pp., 1982. [all data]

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Barber, Kay, et al., 1982
Barber, J.R.; Kay, W.B.; Teja, A.S., A study of the volumetric and phase behavior of binary systems: part I. critical properties of propane + perfluorocyclobutane mixtures., AIChE J., 1982, 28, 134-8. [all data]

Meyer, 1941
Meyer, R.E., , Ph.D. Thesis, Penn. State Univ., Univ. Park, PA, 1941. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Majer, Sváb, et al., 1980
Majer, V.; Sváb, L.; Svoboda, V., Enthalpies of vaporization and cohesive energies for a group of chlorinated hydrocarbons, The Journal of Chemical Thermodynamics, 1980, 12, 9, 843-847, https://doi.org/10.1016/0021-9614(80)90028-2 . [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Reidel, 1938
Reidel, L., Z. Ges. Kalte-Ind., 1938, 45, 221. [all data]

Helgeson and Sage, 1967
Helgeson, N.L.; Sage, B.H., Latent Heat of Vaporization of Propane, J. Chem. Eng. Data, 1967, 12, 1, 47-49, https://doi.org/10.1021/je60032a015 . [all data]

Rips, 1963
Rips, S.M., On a Feasible Level of Filling in of Reservoires by Liquid Hydrocarbons, Khim. Prom. (Moscow), 1963, 8, 610-613. [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Perkins, Ochoa, et al., 2009
Perkins, Richard A.; Ochoa, Jesus C. Sanchez; Magee, Joseph W., Thermodynamic Properties of Propane. II. Molar Heat Capacity at Constant Volume from (85 to 345) K with Pressures to 35 MPa, J. Chem. Eng. Data, 2009, 54, 12, 3192-3201, https://doi.org/10.1021/je900137r . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Takeda, Oguni, et al., 1990
Takeda, K.; Oguni, M.; Suga, H., A DTA apparatus for vapour-deposited samples. Characterisation of some vapour-deposited hydrocarbons, Thermochim. Acta, 1990, 158(1), 195-203. [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M., Stabilization of Cycloalkyl Carbanions in the Gas Phase, Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608 . [all data]

DePuy, Bierbaum, et al., 1984
DePuy, C.H.; Bierbaum, V.M.; Damrauer, R., Relative Gas-Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1984, 106, 4051. [all data]

Kistiakowsky and Nickle, 1951
Kistiakowsky, G.B.; Nickle, A.G., Ethane-ethylene and propane-propylene equilibria, Faraday Discuss. Chem. Soc., 1951, 10, 175-187. [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]

Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons, J. Am. Chem. Soc., 1935, 57, 876-882. [all data]

Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Park, J.D., Reaction heats of organic halogen compounds. VI. The catalytic hydrogenation of some alkyl fluorides, J. Phys. Chem., 1956, 60, 1454-1455. [all data]

Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P., Thermochemistry of organic and organohalogen compounds, Russ. Chem. Rev., 1986, 55, 912. [all data]

Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D., Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane, Trans. Faraday Soc., 1967, 63, 1608-1611. [all data]

Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes, J. Am. Chem. Soc., 1939, 61, 1868-1876. [all data]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene, J. Am. Chem. Soc., 1936, 58, 146-153. [all data]

Davies, Lacher, et al., 1965
Davies, J.; Lacher, J.R.; Park, J.D., Reaction heats of organic compounds. Part 4.-Heats of hydrogenation of n- and iso-Propyl bromides and chlorides, Trans. Faraday Soc., 1965, 61, 2413-2416. [all data]

Sunner, Hirao, et al., 1989
Sunner, J.A.; Hirao, K.; Kebarle, P., Hydride - Transfer Reactions. Temperature Dependence of Rate Constants for i-C3H7+ + HC(CH3)3 = C3H8 + C(CH3)3+. Clusters of i-C3H7+ and t-C4H9+ with Propane and Isobutane, J. Phys. Chem., 1989, 93, 10, 4010, https://doi.org/10.1021/j100347a030 . [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Holm, 1981
Holm, T., J. Chem. Soc., Perkin Trans. II, 1981, 464.. [all data]

Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M., J. Am. Chem. Soc., 1990, 112, 2530. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Au, Cooper, et al., 1993
Au, J.W.; Cooper, G.; Brion, C.E., The molecular and dissociative photoionization of ethane, propane, and n-butane: Absolute oscillator strengths (10-80 eV) and breakdown pathways, Chem. Phys., 1993, 173, 241. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Flesch and Svec, 1973
Flesch, G.D.; Svec, H.J., Fragmentation reactions in the mass spectrometer for C2-C5 alkanes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1187. [all data]

Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

Stockbauer and Inghram, 1971
Stockbauer, R.; Inghram, M.G., Experimental relative Franck-Condon factors for the ionization of methane, ethane, and propane, J. Chem. Phys., 1971, 54, 2242. [all data]

Vlaskov and Ovchinnikov, 1969
Vlaskov, V.A.; Ovchinnikov, A.A., The temperature dependence of the photoionization cross-section of polyatomic molecules, Opt. i Spektroskopiya, 1969, 27, 748, In original 408. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Cermak, 1968
Cermak, V., Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules, Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]

Chupka and Berkowitz, 1967
Chupka, W.A.; Berkowitz, J., Photoionization of ethane, propane, and n-butane with mass analysis, J. Chem. Phys., 1967, 47, 2921. [all data]

Lifshitz and Shapiro, 1966
Lifshitz, C.; Shapiro, M., Isotope effects on metastable transitions: C3H8 and C3D8, J. Chem. Phys., 1966, 45, 4242. [all data]

Turner and Al-Joboury, 1964
Turner, D.W.; Al-Joboury, M.I., Molecular photoelectron spectroscopy, Bull. Soc. Chim. Belges, 1964, 73, 428. [all data]

Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W., Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials, J. Chem. Soc., 1964, 4434. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Bieri and Asbrink, 1980
Bieri, G.; Asbrink, L., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 149. [all data]

Murrell and Schmidt, 1972
Murrell, J.N.; Schmidt, W., Photoelectron spectroscopic correlation of the molecular orbitals of methane, ethane, propane, isobutane and neopentane, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1709. [all data]

Ehrhardt and Tekaat, 1964
Ehrhardt, H.; Tekaat, T., Auftrittspotentialmessungen an ionisierten Molekulbruchstucken mit kinetischer Anfangsenergie, Z. Naturforsch., 1964, 19a, 1382. [all data]

Fuchs, 1972
Fuchs, R., Die kinetische energie ionisierter molekulfragmente VII. H3 ALS fragmention bei der elektronenstrossionisierung von kohlenwasserstoffen, Int. J. Mass Spectrom. Ion Processes, 1972, 8, 193. [all data]

Appell, Durup, et al., 1966
Appell, J.; Durup, J.; Heitz, F., Sur le seuil d'apparition des ions fragments produits avec exces d'energie cinetique, Advan. Mass Spectrom., 1966, 3, 457. [all data]

Gilman, Hsieh, et al., 1982
Gilman, J.P.; Hsieh, T.; Meisels, G.G., Carbon skeletal rearrangement of the propane ion, J. Chem. Phys., 1982, 76, 3497. [all data]

Wolkoff and Holmes, 1978
Wolkoff, P.; Holmes, J.L., Fragmentations of alkane molecular ions, J. Am. Chem. Soc., 1978, 100, 7346. [all data]

Hickling and Jennings, 1970
Hickling, R.D.; Jennings, K.R., Kinetic shifts and metastable transitions, Org. Mass Spectrom., 1970, 3, 1499. [all data]

Omura, 1961
Omura, I., Mass spectra at low ionizing voltage and bond dissociation energies of molecular ions from hydrocarbons, Bull. Chem. Soc. Japan, 1961, 34, 1227. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References