Propene
- Formula: C3H6
- Molecular weight: 42.0797
- IUPAC Standard InChI: InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
- IUPAC Standard InChIKey: QQONPFPTGQHPMA-UHFFFAOYSA-N
- CAS Registry Number: 115-07-1
- 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:
- Other names: Propylene; 1-Propene; Methylethylene; 1-Propylene; CH3CH=CH2; Methylethene; NCI-C50077; UN 1077; R 1270
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Ion clustering 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:
RCD - Robert C. Dunbar
M - 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
+
= (
•
)
By formula: Au+ + C3H6 = (Au+ • C3H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | >310. | kJ/mol | IMRB | Schroeder, Hrusak, et al., 1995 | RCD |
By formula: C3H9Si+ + C3H6 = (C3H9Si+ • C3H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 128. | kJ/mol | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 178. | J/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
+
= (
•
)
By formula: Co+ + C3H6 = (Co+ • C3H6)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 180. (+7.1,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
| 180. (+6.7,-0.) | CID | Haynes and Armentrout, 1994 | gas phase; guided ion beam CID; M |
+
= (
•
)
By formula: Fe+ + C3H6 = (Fe+ • C3H6)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 145. (+7.1,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
+
= (
•
)
By formula: Li+ + C3H6 = (Li+ • C3H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 96. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: Rh+ + C3H6 = (Rh+ • C3H6)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 118. | CID | Chen and Armetrout, 1995 | gas phase; ΔrH>=, guided ion beam CID; M |
References
Go To: Top, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Schroeder, Hrusak, et al., 1995
Schroeder, D.; Hrusak, J.; Hertwig, R.H.; Koch, W.; Schwerdtfeger, P.; Schwarz, H.,
Experimental and Theoretical Studies of Gold(I) Complexes Au(L)+ (L=H2O, CO, NH3, C2H4, C3H6, C4H6, C6H6, C6F6),
Organometallics, 1995, 14, 1, 312, https://doi.org/10.1021/om00001a045
. [all data]
Li and Stone, 1989
Li, X.; Stone, J.A.,
Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes,
J. Am. Chem. Soc., 1989, 111, 15, 5586, https://doi.org/10.1021/ja00197a013
. [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]
Haynes and Armentrout, 1994
Haynes, C.L.; Armentrout, P.B.,
Thermochemistry and Structures of CoC3H6+: Metallacyclic and Metal-Alkene Isomers,
Organomettalics, 1994, 13, 9, 3480, https://doi.org/10.1021/om00021a022
. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Chen and Armetrout, 1995
Chen, Y.M.; Armetrout, P.B.,
Activation of C2H6, C3H8, and c-C3H6 by Gas-Phase Rh+ and the Thermochemistry of Rh-Ligand Complexes,
J. Am. Chem. Soc., 1995, 117, 36, 9291, https://doi.org/10.1021/ja00141a022
. [all data]
Notes
Go To: Top, Ion clustering data, References
- Symbols used in this document:
T Temperature 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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