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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 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 |
Gas phase ion energetics data
Go To: Top, Gas 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.4 | PE | Chuiko, Manukov, et al., 1985 | |
| 8.61 | PE | Chuiko, Manukov, et al., 1985 | Vertical value |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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]
Chuiko, Manukov, et al., 1985
Chuiko, V.A.; Manukov, E.N.; Chukhov, Y.V.; Timoshenko, M.M.,
An investigation of terpene hydrocarbons of the carane series by photoelectron spectroscopy,
J. Org. Chem. USSR, 1985, 600. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.