1-Propene, 2-methyl-
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChI: InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3
- IUPAC Standard InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N
- CAS Registry Number: 115-11-7
- 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. - Other names: Propene, 2-methyl-; γ-Butylene; Isobutene; Isobutylene; Isopropylidenemethylene; 1,1-Dimethylethylene; 2-Methyl-1-propene; 2-Methylpropene; iso-C4H8; Methylpropene; UN 1055; 1,1-Dimethylethene; 2-Methylpropylene
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Gas phase thermochemistry 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:
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 | -17.9 ± 1.1 | kJ/mol | Cm | Prosen, Maron, et al., 1951 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -2699.5 ± 1.0 | kJ/mol | Cm | Prosen, Maron, et al., 1951 | Corresponding ΔfHºgas = -17.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°gas | -2722. | kJ/mol | Ccb | Guinchant, 1918 | Corresponding ΔfHºgas = 4.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 293.59 | J/mol*K | N/A | Stull D.R., 1969 | This value was obtained on the basis of calorimetric data [ Todd S.S., 1936]. Experimental value of S(298 K)=288.7 J/mol*K [ Todd S.S., 1936] could not be recommended because of its large uncertainty.; GT |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 35.68 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended values are in close agreement with other statistically calculated values [ Kilpatrick J.E., 1946] as well as with ab initio value of S(298.15 K)=293.37 J/mol*K [ East A.L.L., 1997].; GT |
| 45.92 | 100. | ||
| 56.83 | 150. | ||
| 67.34 | 200. | ||
| 82.72 | 273.15 | ||
| 88.09 | 298.15 | ||
| 88.49 | 300. | ||
| 109.79 | 400. | ||
| 129.35 | 500. | ||
| 146.48 | 600. | ||
| 161.35 | 700. | ||
| 174.30 | 800. | ||
| 185.59 | 900. | ||
| 195.45 | 1000. | ||
| 204.03 | 1100. | ||
| 211.50 | 1200. | ||
| 217.99 | 1300. | ||
| 223.65 | 1400. | ||
| 228.58 | 1500. | ||
| 238.39 | 1750. | ||
| 245.51 | 2000. | ||
| 250.79 | 2250. | ||
| 254.78 | 2500. | ||
| 257.83 | 2750. | ||
| 260.20 | 3000. |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 75.86 ± 0.38 | 239.15 | Scott R.B., 1945 | GT |
| 82.89 ± 0.41 | 272.15 | ||
| 91.67 ± 0.46 | 312.15 | ||
| 100.25 ± 0.50 | 353.15 |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prosen, Maron, et al., 1951
Prosen, E.J.; Maron, F.W.; Rossini, F.D.,
Heats of combustion, formation, and insomerization of ten C4 hydrocarbons,
J. Res. NBS, 1951, 46, 106-112. [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]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
Todd S.S., 1936
Todd S.S.,
Thermal data on organic compounds. XV. Some heat capacity, entropy and free energy data for the isomeric butenes,
J. Am. Chem. Soc., 1936, 58, 134-137. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Kilpatrick J.E., 1946
Kilpatrick J.E.,
Heat content, free energy function, entropy, and heat capacity of ethylene, propylene, and the four butenes to 1500 K,
J. Res. Nat. Bur. Stand, 1946, 37, 163-171. [all data]
East A.L.L., 1997
East A.L.L.,
Ab initio statistical thermodynamical models for the computation of third-law entropies,
J. Chem. Phys., 1997, 106, 6655-6674. [all data]
Scott R.B., 1945
Scott R.B.,
Specific heats of gaseous 1,3-butadiene, isobutene, styrene, and ethylbenzene,
J. Res. Nat. Bur. Stand., 1945, 34, 243-254. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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