1-Eicosanol
- Formula: C20H42O
- Molecular weight: 298.5469
- IUPAC Standard InChIKey: BTFJIXJJCSYFAL-UHFFFAOYSA-N
- CAS Registry Number: 629-96-9
- 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. - Other names: n-Eicosanol; n-1-Eicosanol; Arachic alcohol; Arachidic alcohol; Arachidyl alcohol; Eicosyl alcohol; 1-Icosanol; Eicosanol-(1); Eicosan-1-ol; Eicosanol; NSC 120887; icosan-1-ol
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°liquid | -3138. ± 3. | kcal/mol | Ccb | Freeman and Bagby, 1989 | Corresponding ΔfHºliquid = -178. kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 338. | K | N/A | Kuchhal, Shukla, et al., 1979 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.25 K; TRC |
Tfus | 338.3 | K | N/A | Davies and Kybett, 1965 | Uncertainty assigned by TRC = 0.8 K; TRC |
Tfus | 339.2 | K | N/A | Shulman, Formo, et al., 1961 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 344.7 | K | N/A | Scholl and Morrison, 1954 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 338.5 | K | N/A | Becker and Strating, 1940 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 30.1 ± 0.2 | kcal/mol | CGC | Nichols, Kweskin, et al., 2006 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 52.1 ± 0.9 | kcal/mol | V | Davies and Kybett, 1965 | ALS |
ΔsubH° | 53.3 ± 0.91 | kcal/mol | N/A | Davies and Kybett, 1965 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.0 | 503. | A | Stephenson and Malanowski, 1987 | Based on data from 488. to 653. K.; AC |
19.9 | 508. | A | Stephenson and Malanowski, 1987 | Based on data from 493. to 648. K.; AC |
28.42 | 348. | ME | Stephenson and Malanowski, 1987 | Based on data from 339. to 358. K. See also Davies and Kybett, 1965.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
52.1 ± 0.91 | 332. | ME | Davies and Kybett, 1965 | Based on data from 327. to 341. K. See also Stephenson and Malanowski, 1987.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.4 | 336.6 | DSC | Ventol«65533», Calvet, et al., 2004 | AC |
10.4 | 336.6 | N/A | Ventolà, Ramírez, et al., 2002 | AC |
17.62 | 338.2 | N/A | van Miltenburg, Oonk, et al., 2001 | AC |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: 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 | Japan AIST/NIMC Database- Spectrum MS-NW-4453 |
NIST MS number | 232985 |
References
Go To: Top, 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.
Freeman and Bagby, 1989
Freeman, B.; Bagby, M.O.,
Heats of combustion of fatty esters and triglycerides,
J. Am. Oil Chem. Soc., 1989, 66, 1601-1605. [all data]
Kuchhal, Shukla, et al., 1979
Kuchhal, Y.K.; Shukla, R.N.; Biswas, A.B.,
Differential thermal analysis of n-long chain alcohols and corresponding alkoxy ethanols,
Thermochimica Acta, 1979, 31, 1, 61-70, https://doi.org/10.1016/0040-6031(79)80008-8
. [all data]
Davies and Kybett, 1965
Davies, M.; Kybett, B.,
Sublimation and vaporization heats of long-chain alcohols,
Trans. Faraday Soc., 1965, 61, 1608. [all data]
Shulman, Formo, et al., 1961
Shulman, S.; Formo, M.W.; Rheineck, A.E.,
Aliphatic Urethanes. Effect of Chain Length on Some Physical Properties,
J. Am. Oil Chem. SOc., 1961, 38, 205-8. [all data]
Scholl and Morrison, 1954
Scholl, A.W.; Morrison, J.G.,
Preparation and Properties of n-nonadecyl and n-eicosyl formates,
West Va. Univ. Bull., Proc. West Va Acad. Sci., 1954, 26, 35-7. [all data]
Becker and Strating, 1940
Becker, H.J.; Strating, J.,
Preparation of Several Crystalline Aliphatic Hydrocarbons in the Pure State,
Rec. Trav. Chim., 1940, 59, 933-46. [all data]
Nichols, Kweskin, et al., 2006
Nichols, Gary; Kweskin, Sasha; Frericks, Margaret; Reiter, Sarah; Wang, Gin; Orf, Jennifer; Carvallo, Brett; Hillesheim, Dorothea; Chickos, James,
Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T = 298.15 K by Correlation Gas Chromatography,
J. Chem. Eng. Data, 2006, 51, 2, 475-482, https://doi.org/10.1021/je0503857
. [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]
Ventol«65533», Calvet, et al., 2004
Ventol«65533», L.; Calvet, T.; Cuevas-Diarte, M.A.; Ram«65533»rez, M.; Oonk, H.A.J.; Mondieig, D.; Negrier, Ph.,
Melting behaviour in the n-alkanol family. Enthalpy?entropy compensation,
Phys. Chem. Chem. Phys., 2004, 6, 8, 1786, https://doi.org/10.1039/b313106h
. [all data]
Ventolà, Ramírez, et al., 2002
Ventolà, L.; Ramírez, M.; Calvet, T.; Solans, X.; Cuevas-Diarte, M.A.; Negrier, P.; Mondieig, D.; van Miltenburg, J.C.; Oonk, H.A.J.,
Polymorphism of N -Alkanols: 1-Heptadecanol, 1-Octadecanol, 1-Nonadecanol, and 1-Eicosanol,
Chem. Mater., 2002, 14, 2, 508-517, https://doi.org/10.1021/cm011010h
. [all data]
van Miltenburg, Oonk, et al., 2001
van Miltenburg, J. Cees; Oonk, Harry A.J.; Ventola, Lourdes,
Heat Capacities and Derived Thermodynamic Functions of 1-Octadecanol, 1-Nonadecanol, 1-Eicosanol, and 1-Docosanol between 10 K and 370 K,
J. Chem. Eng. Data, 2001, 46, 1, 90-97, https://doi.org/10.1021/je000048s
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions 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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