2-Pentadecanone, 6,10,14-trimethyl-
- Formula: C18H36O
- Molecular weight: 268.4778
- IUPAC Standard InChIKey: WHWDWIHXSPCOKZ-UHFFFAOYSA-N
- CAS Registry Number: 502-69-2
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Hexahydrofarnesyl acetone; 6,10,14-Trimethyl-2-pentadecanone; 6,10,14-Trimethylpentadecan-2-one; Perhydrofarnesyl acetone; 13955-74-3
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -149.65 ± 0.55 | kcal/mol | Ccb | Gadzhiev, Gubareva, et al., 1983 | Author's hf298_condensed=-631.41; ALS |
ΔfH°liquid | -150.9 ± 2.2 | kcal/mol | Ccb | Gadzhiev, Kerimov, et al., 1982 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2773.0 ± 1.2 | kcal/mol | Ccb | Gadzhiev, Gubareva, et al., 1983 | Author's hf298_condensed=-631.41; Corresponding ΔfHºliquid = -149.64 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2771.68 | kcal/mol | Ccb | Gadzhiev, Kerimov, et al., 1982 | Corresponding ΔfHºliquid = -150.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
141.8 | 293.85 | Baglay, Gurariy, et al., 1988 | T = 270 to 340 K. Unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.4 ± 0.1 | 451. | Baglay, Gurariy, et al., 1988 | Based on data from 402. to 500. K. |
Mass spectrum (electron ionization)
Go To: Top, Condensed 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | STC 0011 |
NIST MS number | 12976 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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.
Gadzhiev, Gubareva, et al., 1983
Gadzhiev, S.N.; Gubareva, A.I.; Ignat'ev, V.L.; Malinina, A.T.; Shakhova, M.K.,
Thermochemical study of intermediates from the synthesis of vitamin E, Deposited Document, SPSTL 448 Khp-D81. Chem. Abst. 98:88660x, 1983, 1. [all data]
Gadzhiev, Kerimov, et al., 1982
Gadzhiev, S.N.; Kerimov, K.K.; Gubareva, A.I.; Beregovykh, V.V.; Ignat'ev, V.L.; Nurullaev, G.G.,
Study of the physicochemical properties of polyene compounds and their derivatives,
Khim.-Farm. Zh., 1982, 16, 1131-1133. [all data]
Baglay, Gurariy, et al., 1988
Baglay, A.K.; Gurariy, L.L.; Kuleshov, G.G.,
Physical properties of compounds used in vitamin synthesis,
J. Chem. Eng. Data, 1988, 33, 512-518. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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