3-Carene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
- IUPAC Standard InChIKey: BQOFWKZOCNGFEC-DTWKUNHWSA-N
- CAS Registry Number: 13466-78-9
- 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. - Stereoisomers:
- Other names: Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-; delta-3-Carene; 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene; δ 3-carene; 3,7,7-Trimethylbicyclo[4.1.0]-3-heptene; 3-Karen; 3-Norcarene, 3,7,7-trimethyl-; 4,7,7-Trimethyl-3-norcarene; Δ-car-3-ene; 3-δ-Carene; Car-3-ene; Carene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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 | 19. ± 4. | kJ/mol | Ccb | Kozina, Aleshina, et al., 1975 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -29.5 ± 1.9 | kJ/mol | Ccb | Kozina, Aleshina, et al., 1975 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -6192.2 ± 1.8 | kJ/mol | Ccb | Kozina, Aleshina, et al., 1975 | Corresponding ΔfHºliquid = -29.5 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 446.5 | K | N/A | Arbusov and Michailov, 1930 | Uncertainty assigned by TRC = 2. K; TRC |
| Tboil | 443. | K | N/A | Dupont, 1924 | Uncertainty assigned by TRC = 4. K; TRC |
| Tboil | 442. | K | N/A | Simonsen, 1920 | Uncertainty assigned by TRC = 3. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 48.3 ± 3.1 | kJ/mol | V | Kozina, Aleshina, et al., 1975 | ALS |
| ΔvapH° | 48.5 | kJ/mol | N/A | Kozina, Aleshina, et al., 1975 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 441.7 | 0.940 | Aldrich Chemical Company Inc., 1990 | BS |
References
Go To: Top, Gas phase thermochemistry data, Condensed 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.
Kozina, Aleshina, et al., 1975
Kozina, M.P.; Aleshina, V.A.; Gal'chenko, G.L.; Buinova, E.F.; Bardyshev, I.I.,
Enthalpies of combustion of 3- and 2-carenes,
Vestsi Akad. Nauk. BSSR, Ser. Khim. Nauk., 1975, 14-17. [all data]
Arbusov and Michailov, 1930
Arbusov, B.; Michailov, B.M.,
J. Prakt. Chem., 1930, 127, 1. [all data]
Dupont, 1924
Dupont, G.,
Ann. Chim. (Paris), 1924, 1, 184-274. [all data]
Simonsen, 1920
Simonsen, J.L.,
J. Chem. Soc., 1920, 117, 570. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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