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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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-104.7 ± 0.50kJ/molCcbPittam and Pilcher, 1972ALS
ΔfH°gas-103.8 ± 0.59kJ/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; ALS
Quantity Value Units Method Reference Comment
ΔcH°gas-2219.2 ± 0.46kJ/molCcbPittam and Pilcher, 1972Corresponding ΔfHºgas = -104.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°gas-2204.0 ± 0.54kJ/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -119.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°gas-2219.9 ± 0.50kJ/molCcbRossini, 1934Corresponding ΔfHºgas = -103.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°gas-2207.kJ/molCcbGuinchant, 1918Corresponding ΔfHºgas = -117. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
34.0650.Chao J., 1973Recommended values are in good agreement with those calculated by [ Pitzer K.S., 1944].; GT
41.30100.
48.79150.
56.07200.
68.74273.15
73.60298.15
73.93300.
94.01400.
112.59500.
128.70600.
142.67700.
154.77800.
165.35900.
174.601000.
182.671100.
189.741200.
195.851300.
201.211400.
205.891500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
48.91148.2Ernst G., 1970Please also see Kistiakowsky G.B., 1940, Kistiakowsky G.B., 1940, 2, Dailey B.P., 1943.; GT
50.38157.8
58.58213.1
59.29219.2
65.90258.0
67.74272.38
72.67 ± 0.07293.15
73.55300.37
76.11 ± 0.08313.15
80.30 ± 0.08333.15
80.54334.05
82.26343.65
84.40 ± 0.08353.15
85.19360.05
87.45368.55
90.46387.75
104.89452.55
116.69521.15
121.75561.95
128.66603.25
140.62693.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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-119.8 ± 0.59kJ/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; ALS
Quantity Value Units Method Reference Comment
S°liquid171.0J/mol*KN/AKemp and Egan, 1938Debye extrapolation, 0 to 15 K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
98.36230.Vas'kov, 1982T = 90 to 230 K. Cp given as 2.2305 J/g*K.; DH
119.6300.Goodwin, 1978T = 81 to 289 K. Cp data reported for an extended data set; unsmoothed experimental datum.; DH
98.28230.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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
Ptriple1.685×10-9barN/AYounglove and Ely, 1987Uncertainty assigned by TRC = 1.×10-12 bar; TRC
Ptriple1.6895×10-9barN/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
Pc42.5 ± 0.1barAVGN/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°16.25kJ/molN/AMajer and Svoboda, 1985 

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
18.774231.04N/AKemp and Egan, 1938DH
19.04231.1N/AMajer and Svoboda, 1985 
18.8293.AStephenson and Malanowski, 1987Based on data from 278. to 332. K.; AC
19.5233.AStephenson and Malanowski, 1987Based on data from 165. to 248. K.; AC
22.1150.AStephenson and Malanowski, 1987Based on data from 104. to 165. K.; AC
19.0266.AStephenson and Malanowski, 1987Based on data from 231. to 281. K.; AC
19.2344.AStephenson and Malanowski, 1987Based on data from 329. to 369. K.; AC
18.9327.N/AMajer, Sváb, et al., 1980Based on data from 312. to 367. K.; AC
18.77256.N/AReid, 1972AC
20.0216.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) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 278. to 361.
A (kJ/mol) 27.9
α 0.0208
β 0.3766
Tc (K) 369.8
ReferenceMajer and Svoboda, 1985

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
81.26231.04Kemp and Egan, 1938DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
277.6 to 360.84.536781149.3624.906Helgeson and Sage, 1967Coefficents calculated by NIST from author's data.
230.6 to 320.73.98292819.296-24.417Rips, 1963Coefficents calculated by NIST from author's data.
166.02 to 231.414.01158834.26-22.763Kemp and Egan, 1938Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
28.586.BBondi, 1963AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
3.5185.5ACPerkins, Ochoa, et al., 2009AC
3.5285.5N/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 (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
3.52485.45crystaline, IliquidKemp and Egan, 1938DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
41.2485.45crystaline, 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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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°1755. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
ΔrH°1755. ± 20.kJ/molBranPeerboom, Rademaker, et al., 1992gas phase; B
ΔrH°1753. ± 8.4kJ/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1721. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B
ΔrG°1722. ± 21.kJ/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B

Propene + Hydrogen = Propane

By formula: C3H6 + H2 = C3H8

Quantity Value Units Method Reference Comment
ΔrH°-123.4 ± 5.0kJ/molChydKistiakowsky and Nickle, 1951gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -124.9 ± 2.1 kJ/mol; ALS
ΔrH°-125.0 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -126.00 ± 0.054 kJ/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°-84.5 ± 1.3kJ/molChydLacher, Kianpour, et al., 1956gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -88.3 ± 2.9 kJ/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°-92.0 ± 2.1kJ/molChydLacher, Kianpour, et al., 1956gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -95.7 ± 6.7 kJ/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°-126.5 ± 1.1kJ/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -130.60 ± 0.54 kJ/mol; At 250 C; ALS

2Hydrogen + Propyne = Propane

By formula: 2H2 + C3H4 = C3H8

Quantity Value Units Method Reference Comment
ΔrH°-289.6 ± 0.63kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -288.8 ± 0.59 kJ/mol; At 355 K; ALS

2Hydrogen + Allene = Propane

By formula: 2H2 + C3H4 = C3H8

Quantity Value Units Method Reference Comment
ΔrH°-295.1 ± 1.0kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -298.2 ± 0.84 kJ/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°-45.40 ± 0.92kJ/molChydDavies, Lacher, et al., 1965gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -45.06 kJ/mol; ALS

EtCH2 anion + Hydrogen cation = Propane

By formula: C3H7- + H+ = C3H8

Quantity Value Units Method Reference Comment
ΔrH°1739. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1704. ± 8.8kJ/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°56.9kJ/molPHPMSSunner, Hirao, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°123.J/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°28.kJ/molPHPMSSunner, Hirao, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°93.3J/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° (kJ/mol) T (K) Method Reference Comment
74.9 (+4.2,-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° (kJ/mol) T (K) Method Reference Comment
129. (+5.9,-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°-305.9 ± 2.2kJ/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°-33.9 ± 8.4kJ/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°-65.81 ± 0.67kJ/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°-58.32 ± 0.71kJ/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°-56.78kJ/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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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)625.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity607.8kJ/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°1755. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
ΔrH°1755. ± 20.kJ/molBranPeerboom, Rademaker, et al., 1992gas phase; B
ΔrH°1753. ± 8.4kJ/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1721. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B
ΔrG°1722. ± 21.kJ/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°1739. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1704. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; B

Ion clustering data

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), Vibrational and/or electronic energy levels, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C3H7+ + Propane = (C3H7+ • Propane)

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

Quantity Value Units Method Reference Comment
ΔrH°56.9kJ/molPHPMSSunner, Hirao, et al., 1989gas phase
Quantity Value Units Method Reference Comment
ΔrS°123.J/mol*KPHPMSSunner, Hirao, et al., 1989gas phase

C4H9+ + Propane = (C4H9+ • Propane)

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

Quantity Value Units Method Reference Comment
ΔrH°28.kJ/molPHPMSSunner, Hirao, et al., 1989gas phase
Quantity Value Units Method Reference Comment
ΔrS°93.3J/mol*KPHPMSSunner, Hirao, et al., 1989gas phase

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

By formula: Co+ + C3H8 = (Co+ • C3H8)

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
129. (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID

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

By formula: Fe+ + C3H8 = (Fe+ • C3H8)

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
74.9 (+4.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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

Mass spectrum (electron ionization)

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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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NIST MS number 18863

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Vibrational and/or electronic energy levels

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

Data compiled by: Takehiko Shimanouchi

Symmetry:   C2ν     Symmetry Number σ = 2
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
a1 1 CH3 d-str 2977  C 2977 gas
a1 2 CH3 s-str 2962  D 2962 gas
a1 3 CH2 s-str 2887  C 2887 gas
a1 4 CH3 d-deform 1476  C 1476 gas
a1 5 CH2 scis 1462  C 1462 gas
a1 6 CH3 s-deform 1392  C 1392 gas
a1 7 CH3 rock 1158  C 1158 gas 1152 W liq.
a1 8 CC str 869  C 869 gas 867 S liq.
a1 9 CCC deform 369  C 369 gas 375 W liq.
a2 10 CH3 d-str 2967  C  ia 2967 M liq.
a2 11 CH3 d-deform 1451  C  ia 1451 S liq.
a2 12 CH2 twist 1278  C  ia 1278 W liq.
a2 13 CH3 rock 940  D  ia 940 VW liq.
a2 14 Torsion 216  C  ia MW ( ?/?)
b1 15 CH3 d-str 2968  C 2968 gas
b1 16 CH3 s-str 2887  C 2887 gas OV(ν3)
b1 17 CH3 d-deform 1464  C 1464 gas
b1 18 CH3 s-deform 1378  C 1378 gas
b1 19 CH2 wag 1338  C 1338 gas 1338 M liq.
b1 20 CC str 1054  C 1054 gas 1054 M liq.
b1 21 CH3 rock 922  C 922 gas
b2 22 CH3 d-str 2973  C 2973 gas
b2 23 CH2 a-str 2968  C 2968 gas
b2 24 CH3 d-deform 1472  C 1472 gas
b2 25 CH3 rock 1192  C 1192 gas
b2 26 CH2 rock 748  C 748 gas
b2 27 Torsion 268  C MW ( ?/?)

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
VWVery weak
iaInactive
OVOverlapped by band indicated in parentheses.
MWTorsional Frequency calculated from microwave spectroscopic data.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

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

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References