Propane

• Formula: C₃H₈
• Molecular weight: 44.0956
• IUPAC Standard InChI: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 74-98-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Isotopologues:
  • Propane-2-¹³c
  • Propane-d8
  • CH3CD2CH3
• Other names: n-Propane; Dimethylmethane; Freon 290; Liquefied petroleum gas; LPG; Propyl hydride; R 290; C3H8; UN 1978; A-108; Hydrocarbon propellant A-108; HC 290
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Henry's Law data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Reaction thermochemistry data

Go To: Top, Henry's Law data, Ion clustering 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:
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^- +  =

By formula: C₃H₇^- + H⁺ = C₃H₈

 +  =

By formula: C₃H₆ + H₂ = C₃H₈

 +  =  + 

By formula: H₂ + C₃H₇F = C₃H₈ + HF

 +  =  + 

By formula: H₂ + C₃H₇F = C₃H₈ + HF

2 +  =  + 2

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

2 +  =

By formula: 2H₂ + C₃H₄ = C₃H₈

2 +  =

By formula: 2H₂ + C₃H₄ = C₃H₈

 +  =  + 

By formula: H₂ + C₃H₇Br = HBr + C₃H₈

 +  =

By formula: C₃H₇^- + H⁺ = C₃H₈

C₃H₇⁺ +  = (C₃H₇⁺ • )

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

C₄H₉⁺ +  = (C₄H₉⁺ • )

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

 +  = ( • )

By formula: Fe⁺ + C₃H₈ = (Fe⁺ • C₃H₈)

Enthalpy of reaction

 +  = ( • )

By formula: Co⁺ + C₃H₈ = (Co⁺ • C₃H₈)

Enthalpy of reaction

C₃H₇BrMg (solution) +  (g) =  (solution) + Br₂Mg (solution)

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

C₅O₅W (g) +  (g) = C₈H₈O₅W (g)

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

 +  =  + 

By formula: H₂ + C₃H₇Cl = C₃H₈ + HCl

 +  =  + 

By formula: H₂ + C₃H₇Cl = C₃H₈ + HCl

 +  =  + 

By formula: C₃H₇Br + H₂ = HBr + C₃H₈

Henry's Law data

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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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

Ion clustering data

Go To: Top, Reaction thermochemistry data, Henry's Law 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: 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⁺ +  = (C₃H₇⁺ • )

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

C₄H₉⁺ +  = (C₄H₉⁺ • )

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

 +  = ( • )

By formula: Co⁺ + C₃H₈ = (Co⁺ • C₃H₈)

Enthalpy of reaction

 +  = ( • )

By formula: Fe⁺ + C₃H₈ = (Fe⁺ • C₃H₈)

Enthalpy of reaction

References

Go To: Top, Reaction thermochemistry data, Henry's Law data, Ion clustering data, Notes

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

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]

Notes

Go To: Top, Reaction thermochemistry data, Henry's Law data, Ion clustering data, References

• Symbols used in this document:
  

  T	Temperature
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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