α-Pinene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
- IUPAC Standard InChIKey: GRWFGVWFFZKLTI-UHFFFAOYSA-N
- CAS Registry Number: 80-56-8
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-; 2-Pinene; 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene; Pinene, α; 2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene; 2,6,6-Trimethylbicyclo[3.1.1]-2-heptene; Acintene A; 4,6,6-Trimethylbicyklo(3,1,1)hept-3-en; UN 2368; alpha-Pinene; PC 500; Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)-; Sylvapine A; (.+/-.)-α-Pinene; NSC 7727; Pinene; (+)-α-pinene; 2,6,6-trimethylbicyclo[3,1,1]-heptene (α-pinene); α-Pinene [1R-(+), 1S-(-) ]; 2,6,6-trimethylbicyclo-[3,1,1]-2-heptene (α-pinene); pin-2(3)-ene
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -1483.10 ± 0.70 | kcal/mol | Ccb | Hawkins and Eriksen, 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1483.0 ± 0.25 kcal/mol; Corresponding ΔfHºliquid = -3.93 kcal/mol (simple calculation by NIST; no Washburn corrections) |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hawkins and Eriksen, 1954
Hawkins, J.E.; Eriksen, W.T.,
Physical and thermodynamic properties of terpenes. II. The heats of combustion of some terpene hydrocarbons,
J. Am. Chem. Soc., 1954, 76, 2669-26. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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