Cyclohexene, 1-methyl-4-(1-methylethyl)-
- Formula: C10H18
- Molecular weight: 138.2499
- IUPAC Standard InChIKey: FAMJUFMHYAFYNU-UHFFFAOYSA-N
- CAS Registry Number: 5502-88-5
- 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: p-Menth-1-ene; Carvomenthene; 1-p-Menthene; 1-Methyl-4-isopropylcyclohexene; δ1-p-Menthene; 1-Methyl-4-isopropyl-1-cyclohexene; 4-Isopropyl-1-methylcyclohexene; 1-Methyl-4-(1-methylethyl)cyclohexene; 4-Isopropyl-1-methyl-1-cyclohexene; p-1-Menthene; p-Ment-1-ene; NSC 96749; 1-Menthene
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Gas 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°gas | -26.48 ± 0.76 | kcal/mol | Ccb | Kalechits, Luk'yanova, et al., 1990 |
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 | -38.19 ± 0.76 | kcal/mol | Ccb | Kalechits, Luk'yanova, et al., 1990 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1517.2 ± 0.74 | kcal/mol | Ccb | Kalechits, Luk'yanova, et al., 1990 | Corresponding ΔfHºliquid = -38.19 kcal/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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 443. | K | N/A | Pines, Olberg, et al., 1952 | Uncertainty assigned by TRC = 4. K; TRC |
Tboil | 450. | K | N/A | Smith, Fuzek, et al., 1949 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 443. | K | N/A | Knoevenagel, 1897 | Uncertainty assigned by TRC = 5. K; position of side chains on ring not determined; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 11.72 ± 0.079 | kcal/mol | C | Kalechits, Luk'yanova, et al., 1990 | ALS |
ΔvapH° | 11.7 | kcal/mol | N/A | Kalechits, Luk'yanova, et al., 1990 | DRB |
IR Spectrum
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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: Coblentz Society, Inc.
Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | INTERNATIONAL FLAVORS & FRAGRANCES, INC. |
Source reference | COBLENTZ NO. 4972 |
Date | Not specified, most likely prior to 1970 |
Name(s) | 4-isopropyl-1-methyl-1-cyclohexene |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | CONTINENTAL OIL CO., PONCA CITY, OKLA, USA |
NIST MS number | 27628 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kalechits, Luk'yanova, et al., 1990
Kalechits, G.V.; Luk'yanova, V.A.; Kozina, M.P.; Gal'chenko, G.L.,
Synthesis and thermochemical parameters of 1-p-menthene and 3-p-menthene,
J. Gen. Chem. USSR, 1990, 60, 169-172. [all data]
Pines, Olberg, et al., 1952
Pines, H.; Olberg, R.C.; Ipatieff, V.N.,
J. Am. Chem. Soc., 1952, 74, 4872. [all data]
Smith, Fuzek, et al., 1949
Smith, H.A.; Fuzek, J.F.; Meriwether, H.T.,
The Catalytic Hydrogenation of Terpenes,
J. Am. Chem. Soc., 1949, 71, 3765. [all data]
Knoevenagel, 1897
Knoevenagel, E.,
Justus Liebigs Ann. Chem., 1897, 297, 113. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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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