1-Octadecanol
- Formula: C18H38O
- Molecular weight: 270.4937
- IUPAC Standard InChIKey: GLDOVTGHNKAZLK-UHFFFAOYSA-N
- CAS Registry Number: 112-92-5
- 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. - Other names: n-Octadecanol; n-Octadecyl alcohol; n-1-Octadecanol; Aldol 62; Alfol 18; Atalco S; Cachalot S-43; Crodacol-S; Lanol S; Lorol 28; Octadecan-1-ol; Octadecyl alcohol; Sipol S; Siponol S; Siponol SC; Stearol; Stearyl alcohol; Stenol; Steraffine; Decyl octyl alcohol; Adol 68; Dytol e-46; Octadecanol; Polaax; Usp XIII stearyl alcohol; CO-1895; CO-1897; Kalcohl 80; Conol 30F; 1-Hydroxyoctadecane; C18 Linear alcohol; Cachalot S-56; CO 1895F; Conol 1675; Crodacol S70; Crodacol S95NF; Lanette 18 DEO; Lorol C18; Octadecanol NF; Philcohol 1800; Rita SA; Stearyl alcohol NF; Stearyl alcohol USP; Varonic BG; Octanodecanol; 1-Stearyl alcohol; Stearic alcohol; Rofamol; Kalcohl 8098; Adol 62; SSD AF (Salt/Mix); Ceteareth-20 (Salt/Mix)
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Condensed phase thermochemistry data
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 as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°solid | -11820. ± 4. | kJ/mol | Ccb | Freeman and Bagby, 1989 | Corresponding ΔfHºsolid = -690. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
705.2 | 343.15 | Khasanshin and Zykova, 1989 | T = 343 to 583 K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
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 | 331. ± 2. | K | AVG | N/A | Average of 18 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 330.95 | K | N/A | Spizzichino, 1956 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 2.933×10-7 | bar | N/A | Spizzichino, 1956 | Uncertainty assigned by TRC = 1.3×10-7 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 116.8 ± 1.2 | kJ/mol | CGC | Nichols, Kweskin, et al., 2006 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 187. ± 1. | kJ/mol | V | Davies and Kybett, 1965 | ALS |
ΔsubH° | 191.2 ± 1.3 | kJ/mol | N/A | Davies and Kybett, 1965 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
443.7 | 0.003 | Aldrich Chemical Company Inc., 1990 | BS |
483.7 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
86.4 | 450. | A | Stephenson and Malanowski, 1987 | Based on data from 435. to 504. K.; AC |
76.3 | 515. | A | Stephenson and Malanowski, 1987 | Based on data from 500. to 573. K.; AC |
113.5 | 345. | A,ME | Stephenson and Malanowski, 1987 | Based on data from 334. to 356. K. See also Davies and Kybett, 1965.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
435.94 to 518.67 | 3.8588 | 1750.833 | -172.151 | Ambrose, Ellender, et al., 1974 | Coefficents calculated by NIST from author's data. |
495.09 to 574.30 | 4.21119 | 1986.921 | -151.128 | Ambrose and Sprake, 1970 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
187.4 ± 1.3 | 324. | ME | Davies and Kybett, 1965 | Based on data from 318. to 329. K. See also Stephenson and Malanowski, 1987.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
40.1 | 330.1 | DSC | Ventol«65533», Calvet, et al., 2004 | AC |
40.1 | 330.3 | N/A | Ventolà, Ramírez, et al., 2002 | AC |
66.67 | 331.2 | N/A | van Miltenburg, Oonk, et al., 2001 | AC |
70.08 | 334.2 | N/A | Chickos, Braton, et al., 1991 | AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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]
Khasanshin and Zykova, 1989
Khasanshin, T.S.; Zykova, T.B.,
Specific heat of saturated monatomic alcohols,
Inzh. -Fiz. Zhur., 1989, 56(6), 991-994. [all data]
Spizzichino, 1956
Spizzichino, C.,
Contribution a l'etude des tensions de vapeur et des chaleurs de vaporisation des acides gras, esters methyliques et alcools gras a des pressions inferieures a 1 mm de mercure,
J. des Recherches du C.N.R.S., 1956, 34, 1-24. [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]
Davies and Kybett, 1965
Davies, M.; Kybett, B.,
Sublimation and vaporization heats of long-chain alcohols,
Trans. Faraday Soc., 1965, 61, 1608. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Ambrose, Ellender, et al., 1974
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S.,
Thermodynamic properties of organic oxygen compounds XXXV. Vapour pressures of aliphatic alcohols,
The Journal of Chemical Thermodynamics, 1974, 6, 9, 909-914, https://doi.org/10.1016/0021-9614(74)90235-3
. [all data]
Ambrose and Sprake, 1970
Ambrose, D.; Sprake, C.H.S.,
Thermodynamic properties of organic oxygen compounds XXV. Vapour pressures and normal boiling temperatures of aliphatic alcohols,
The Journal of Chemical Thermodynamics, 1970, 2, 5, 631-645, https://doi.org/10.1016/0021-9614(70)90038-8
. [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]
Chickos, Braton, et al., 1991
Chickos, James S.; Braton, C. Marie; Hesse, Donald G.; Liebman, Joel F.,
Estimating entropies and enthalpies of fusion of organic compounds,
J. Org. Chem., 1991, 56, 3, 927-938, https://doi.org/10.1021/jo00003a007
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Ptriple Triple point pressure Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°solid Enthalpy of combustion of solid 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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