1,3-Cyclopentadiene, 5-(1-methylethylidene)-
- Formula: C8H10
- Molecular weight: 106.1650
- IUPAC Standard InChI: InChI=1S/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3
- IUPAC Standard InChIKey: WXACXMWYHXOSIX-UHFFFAOYSA-N
- CAS Registry Number: 2175-91-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 1,3-Cyclopentadiene, 5-isopropylidene-; Dimethylfulvene; Isopropylidenecyclopentadiene; 5-Isopropylidene-1,3-cyclopentadiene; 6,6-Dimethylfulvene; 5-(1-Methylethylidene)-1,3-cyclopentadiene; 5-Isopropylidenecyclopentadiene; Fulvene, 6,6-dimethyl
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Gas phase thermochemistry data
Go To: Top, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 34.3 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 274.05 | K | N/A | Murphy and Duggan, 1949 | Uncertainty assigned by TRC = 2. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 10.56 | kcal/mol | V | Day and Oestreich, 1957 | ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 349.7 | 0.066 | Aldrich Chemical Company Inc., 1990 | BS |
| 332. to 333. | 0.033 | Frinton Laboratories Inc., 1986 | BS |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R.,
Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld,
Chem. Ber., 1991, 124, 2499-2521. [all data]
Murphy and Duggan, 1949
Murphy, M.T.; Duggan, A.C.,
Pyrolysis of Butadiene,
J. Am. Chem. Soc., 1949, 71, 3347. [all data]
Day and Oestreich, 1957
Day, J.H.; Oestreich, C.,
Fulvenes: III. Heat of combustion and resonance energy,
J. Org. Chem., 1957, 22, 214-216. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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