3-Octanol
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChIKey: NMRPBPVERJPACX-UHFFFAOYSA-N
- CAS Registry Number: 589-98-0
- 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: n-Octan-3-ol; Ethylamylcarbinol; Amylethylcarbinol; Ethyl-n-amylcarbinol; Octanol-3; D-n-Octanol; Octan-3-ol
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- Other data available:
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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 by: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
338.5 | 298.5 | Cline and Andrews, 1931 | T = 102 to 298 K. Value is unsmoothed experimental datum. |
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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tc | 628.5 ± 0.5 | K | N/A | Gude and Teja, 1995 | |
Tc | 628.5 | K | N/A | Teja, Lee, et al., 1989 | TRC |
Tc | 628.45 | K | N/A | Anselme and Teja, 1988 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.515 | l/mol | N/A | Gude and Teja, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.94 | mol/l | N/A | Gude and Teja, 1995 | |
ρc | 1.94 | mol/l | N/A | Anselme and Teja, 1988 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
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. | 4.8465 | 1663.322 | -97.47 | Geiseler, Fruwert, et al., 1966 | Coefficents calculated by NIST from author's data. |
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
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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114344 |
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.
Cline and Andrews, 1931
Cline, J.K.; Andrews, D.H.,
Thermal energy studies. III. The octanols,
J. Am. Chem. Soc., 1931, 53, 3668-3673. [all data]
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]
Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J.,
Correlation of the Critical Properties of Alkanes and Alkanols
in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [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]
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, 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 Tc Critical temperature Vc Critical volume ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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