2-Octanol
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChIKey: SJWFXCIHNDVPSH-UHFFFAOYSA-N
- CAS Registry Number: 123-96-6
- 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:
- Stereoisomers:
- Other names: β-Octyl alcohol; n-Octan-2-ol; sec-Caprylic alcohol; sec-Octyl alcohol; Capryl alcohol; Hexylmethylcarbinol; Methylhexylcarbinol; 1-Methyl-1-heptanol; 1-Methylheptyl alcohol; 2-Octyl alcohol; Octanol-2; 2-Hydroxyoctane; s-Octyl alcohol; Octan-2-ol; 2-Octanol, (.+/-.)-; 1-Methylheptanol; 2-Hydroxy-n-octane; NSC 14759; methylheptanol
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Phase change data
Go To: Top, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 453. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 632. ± 7. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 27.5 ± 0.5 | bar | N/A | Gude and Teja, 1995 | |
Pc | 27.80 | bar | N/A | Quadri, Khilar, et al., 1991 | Uncertainty assigned by TRC = 0.50 bar; TRC |
Pc | 29.00 | bar | N/A | Ambrose and Ghiassee, 1990 | Uncertainty assigned by TRC = 2.00 bar; Calculated from vaper pressure equation at Tc; TRC |
Pc | 27.27 | bar | N/A | Rosenthal and Teja, 1990 | Uncertainty assigned by TRC = 0.0002 bar; TRC |
Pc | 27.27 | bar | N/A | Rosenthal and Teja, 1989 | Uncertainty assigned by TRC = 0.20 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.519 | l/mol | N/A | Gude and Teja, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.93 ± 0.05 | mol/l | N/A | Gude and Teja, 1995 | |
ρc | 1.93 | mol/l | N/A | Anselme and Teja, 1988 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 67.9 ± 0.3 | kJ/mol | GS | Verevkin and Schick, 2007 | Based on data from 284. to 329. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
70.7 | 268. | N/A | N'Guimbi, Berro, et al., 1999 | Based on data from 253. to 353. K.; AC |
60.7 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 453. K.; AC |
56.1 | 382. | N/A | Sachek, Markovnik, et al., 1984 | Based on data from 367. to 453. K.; AC |
60.0 | 360. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 345. to 453. K.; 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 |
---|---|---|---|---|---|
283. to 353. | 6.46895 | 2556.946 | -41.497 | Geiseler, Fruwert, et al., 1966 | Coefficents calculated by NIST from author's data. |
Mass spectrum (electron ionization)
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
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-5553 |
NIST MS number | 227927 |
References
Go To: Top, 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.
Gude and Teja, 1995
Gude, M.; Teja, A.S.,
Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols,
J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]
Quadri, Khilar, et al., 1991
Quadri, S.K.; Khilar, K.C.; Kudchadker, A.P.; Patni, M.J.,
Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable alkanols,
J. Chem. Thermodyn., 1991, 23, 67-76. [all data]
Ambrose and Ghiassee, 1990
Ambrose, D.; Ghiassee, N.B.,
Vapor pressures, critical temperatures, and critical pressures of benzyl alcohol, octan-2-ol, and 2-ethylhexan-1-ol,
J. Chem. Thermodyn., 1990, 22, 307-11. [all data]
Rosenthal and Teja, 1990
Rosenthal, D.J.; Teja, A.S.,
The Critical Pressures and temperatures of Isomeric Alkanols,
Ind. Eng. Chem. to be published 1990 1990, 1990. [all data]
Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S.,
Critical pressures and temperatures of isomeric alkanols,
Ind. Eng. Chem. Res., 1989, 28, 1693. [all data]
Anselme and Teja, 1988
Anselme, M.J.; Teja, A.S.,
Critical Temperatures and Densities of Isomeric Alkanols with Six to Ten Carbon Atoms,
Fluid Phase Equilib., 1988, 40, 127-34. [all data]
Verevkin and Schick, 2007
Verevkin, Sergey P.; Schick, Christoph,
Vapour pressures and heat capacity measurements on the C7--C9 secondary aliphatic alcohols,
The Journal of Chemical Thermodynamics, 2007, 39, 5, 758-766, https://doi.org/10.1016/j.jct.2006.10.007
. [all data]
N'Guimbi, Berro, et al., 1999
N'Guimbi, J.; Berro, C.; Mokbel, I.; Rauzy, E.; Jose, J.,
Experimental vapour pressures of 13 secondary and tertiary alcohols---correlation and prediction by a group contribution method,
Fluid Phase Equilibria, 1999, 162, 1-2, 143-158, https://doi.org/10.1016/S0378-3812(99)00168-5
. [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]
Sachek, Markovnik, et al., 1984
Sachek, A.I.; Markovnik, V.S.; Peshchenko, A.D.; Shvaro, A.V.; Andreevskii, D.N.,
Khim. Prom-st. (Moscow), 1984, 337. [all data]
Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J.,
Physical and thermodynamic properties of aliphatic alcohols,
J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]
Geiseler, Fruwert, et al., 1966
Geiseler, Gerhard; Fruwert, Johanna; Hüttig, Rainer,
Dampfdruck- und Schwingungsverhalten der stellungsisomeren n-Octanole und hydroxydeuterierten n-Octanole,
Chem. Ber., 1966, 99, 5, 1594-1601, https://doi.org/10.1002/cber.19660990525
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Vc Critical volume ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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