(+)-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+/m1/s1
- IUPAC Standard InChIKey: BQOFWKZOCNGFEC-BDAKNGLRSA-N
- CAS Registry Number: 498-15-7
- 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-, (1S)-; 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-, (1S,6R)-; Isodiprene; (+)-δ3-Carene; (+)-(-)-3-carene; (1S,3R,6R)-3-Carene; (1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
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Phase change data
Go To: Top, Gas Chromatography, 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 48.5 | kJ/mol | GC | Hoskovec, Grygarová, et al., 2005 | Based on data from 313. to 413. K.; AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 396.7 | 0.267 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 42.8 | 374. | A | Stephenson and Malanowski, 1987 | Based on data from 359. to 443. K.; AC |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | ZB-1 | 100. | 1012.09 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 110. | 1015.29 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 120. | 1018.6 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 130. | 1021.88 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 140. | 1025.31 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 40. | 994.21 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 50. | 996.99 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 60. | 1000. | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 70. | 1002.83 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 80. | 1005.88 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 90. | 1008.96 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 995. | Suliman F.E.O., Fatope M.O., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 2C/min => 200C => 5C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1002. | Orav, Kailas, et al., 2002 | 50. m/0.2 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-5 | 1010. | Cheriti, Saad, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 3C/min => 240C => 10C/min => 300C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1148. | Orav, Kailas, et al., 2002 | 60. m/0.2 mm/0.5 μm, He, 2. K/min; Tstart: 70. C; Tend: 220. C |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hoskovec, Grygarová, et al., 2005
Hoskovec, Michal; Grygarová, Dana; Cvacka, Josef; Streinz, Ludvík; Zima, Jirí; Verevkin, Sergey P.; Koutek, Bohumír,
Determining the vapour pressures of plant volatiles from gas chromatographic retention data,
Journal of Chromatography A, 2005, 1083, 1-2, 161-172, https://doi.org/10.1016/j.chroma.2005.06.006
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Suliman F.E.O., Fatope M.O., et al., 2006
Suliman F.E.O.; Fatope M.O.; Al-Saidi S.H.; Al-Kindy S.M.Z.; Marwah R.G.,
Composition and antimicrobial activity of the essential oil of Pluchea arabica from Oman,
Flavour Fragr. J., 2006, 21, 3, 469-471, https://doi.org/10.1002/ffj.1616
. [all data]
Orav, Kailas, et al., 2002
Orav, A.; Kailas, T.; Müürisepp, M.,
Composition of blackcurrant aroma isolated from leaves, buds, and berries of Ribes nigrum L.,
Proc. Est. Acad. Sci. Chem., 2002, 51, 4, 225-234. [all data]
Cheriti, Saad, et al., 2007
Cheriti, A.; Saad, A.; Belboukhari, N.; Ghezali, S.,
The essential oil composition of Bubonium graveolens (Forssk.) Maire from the algerian Sahara,
Flavour Fragr. J., 2007, 22, 4, 286-288, https://doi.org/10.1002/ffj.1794
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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