1,2-Butadiene, 3-methyl-
- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChI: InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3
- IUPAC Standard InChIKey: PAKGDPSCXSUALC-UHFFFAOYSA-N
- CAS Registry Number: 598-25-4
- 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: 1,1-Dimethylallene; 1,1-Dimethylallylene; 2-Methyl-2,3-butadiene; 3-Methyl-1,2-butadiene; 3,3-Dimethylallene; CH2=C=C(CH3)2; 3-methylbuta-1,2-diene
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Condensed phase thermochemistry 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 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 | 24.18 ± 0.12 | kcal/mol | Ccb | Good, 1969 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -767.70 ± 0.10 | kcal/mol | Ccb | Good, 1969 | Corresponding ΔfHºliquid = 24.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 55.399 | cal/mol*K | N/A | Messerly, Todd, et al., 1970 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 36.429 | 298.15 | Messerly, Todd, et al., 1970 | T = 12 to 320 K.; DH |
| 36.11 | 298.15 | Good, 1969 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, 1969
Good, W.D.,
3-Methyl-1,2-butadiene: Enthalpies of combustion and formation,
J. Chem. Eng. Data, 1969, 14, 480-481. [all data]
Messerly, Todd, et al., 1970
Messerly, J.F.; Todd, S.S.; Guthrie, G.B.,
Chemical thermodynamic properties of the pentadienes,
J. Chem. Eng. Data, 1970, 15, 227-232. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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