4-Isopropyl-2-methylphenol
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChIKey: WYXXLXHHWYNKJF-UHFFFAOYSA-N
- CAS Registry Number: 1740-97-2
- 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:
- Other names: Phenol, 2-methyl-4-(1-methylethyl)-; isocarvacrol; 4-isopropyl-m-cresol
- Information on this page:
- Other data available:
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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:
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.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 506.15 | K | N/A | Sowa, Hinton, et al., 1932 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 77.74 | kJ/mol | C | Bertholon, Giray, et al., 1971 | see Lamartine and Perrin, 1969; ALS |
ΔvapH° | 73.2 | kJ/mol | N/A | Bertholon, Giray, et al., 1971 | DRB |
ΔvapH° | 56. ± 3. | kJ/mol | V | Lamartine and Perrin, 1969 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
356.2 | 0.004 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
59.8 | 397. | EB | Lamartine and Perrin, 1969, 2 | Based on data from 382. to 503. 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
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax FSC | 2221. | Demirci, Paper, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | HP-Innowax FSC | 2221. | Demirci, Baser, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Capillary | Innowax FSC | 2221. | Baser, Demirei, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Innowax | 2221. | Baser, Nuriddinov, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Innowax | 2205. | Özcan, Akgül, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
Capillary | Innowax | 2219. | Baser, Özek, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
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.
Sowa, Hinton, et al., 1932
Sowa, F.J.; Hinton, H.D.; Nieuwland, J.A.,
Organic Reactions with Boron FLuoride II. The Rearrangement of Alkyl Phenyl Ethers,
J. Am. Chem. Soc., 1932, 54, 2019. [all data]
Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F.,
No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols,
Bull. Soc. Chim. France, 1971, 3180-3187. [all data]
Lamartine and Perrin, 1969
Lamartine, R.; Perrin, R.,
Etude physiocochimique des phenols. VIII. Caracterisation physicochimique des methyl-2 isopropylphenols ou carvacrols,
Bull. Soc. Chim. France, 1969, 10, 443-445. [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]
Lamartine and Perrin, 1969, 2
Lamartine, R.; Perrin, R.,
Bull. Soc. Chim. Fr., 1969, 2, 443. [all data]
Demirci, Paper, et al., 2004
Demirci, F.; Paper, D.H.; Franz, G.; Hüsnü Can Baser, K.,
Investigation of the origanum onites L. essential oil using the Chorioallantoic Membrane (CAM) assay,
J. Agric. Food Chem., 2004, 52, 2, 251-254, https://doi.org/10.1021/jf034850k
. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173
. [all data]
Baser, Demirei, et al., 2002
Baser, K.H.C.; Demirei, B.; Özek, T.; Akalin, E.; Özhatay, N.,
Micro-distilled volatile compounds from Ferulago species growing in Western Turkey,
Pharm. Biol., 2002, 40, 6, 466-471, https://doi.org/10.1076/phbi.40.6.466.8439
. [all data]
Baser, Nuriddinov, et al., 2002
Baser, K.H.C.; Nuriddinov, H.R.; Ozek, T.; Demirci, A.B.; Azcan, N.; Nigmatullaev, A.M.,
Essential oil of Arischrada korolkowii from the Chatkal mountains of Uzbekistan,
Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 51-53, https://doi.org/10.1023/A:1015729731464
. [all data]
Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4
. [all data]
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey,
Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L
. [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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