1-Octanamine
- Formula: C8H19N
- Molecular weight: 129.2432
- IUPAC Standard InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
- CAS Registry Number: 111-86-4
- 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: Octylamine; n-Octylamine; Armeen 8; Caprylamine; Caprylylamine; 1-Aminooctane; 1-Octylamine; n-C8H17NH2; n-Octylamine, mono-; Monooctylamine; Octanamine; Amine 8D; Monoctylamine; NSC 9824
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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 | -54.51 ± 0.30 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1346.89 ± 0.23 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
73.92 | 298.15 | Steele, Chirico, et al., 1993 | DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 452. ± 7. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 272.75 | K | N/A | Zvejnieks, 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 273.15 | K | N/A | Hoffman and Smyth, 1949 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 272.15 | K | N/A | Ralston, Hoerr, et al., 1942 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 641. | K | N/A | Steele, Chirico, et al., 1996, 2 | Uncertainty assigned by TRC = 3. K; fitting parameter in Wagner equation for vapor pressure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 25.83 | atm | N/A | Steele, Chirico, et al., 1996, 2 | Uncertainty assigned by TRC = 3.95 atm; from extrapolation of obs. vapor pressure to Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.93 | mol/l | N/A | Steele, Chirico, et al., 1996, 2 | Uncertainty assigned by TRC = 0.23 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 13.06 ± 0.23 | kcal/mol | V | Steele, Chirico, et al., 1996 | ALS |
ΔvapH° | 13.0 | kcal/mol | N/A | Steele, Chirico, et al., 1996 | DRB |
ΔvapH° | 13.1 ± 0.1 | kcal/mol | EB | Steele, Chirico, et al., 1996 | Based on data from 343. to 494. K.; AC |
ΔvapH° | 13.0 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 323. to 373. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.1 | 323. | A | Stephenson and Malanowski, 1987 | Based on data from 308. to 453. K.; AC |
Gas phase ion energetics data
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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 222.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 213.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
221.1 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with other primary amines at E(cm) = 0 eV, extrapolated from CID at E(cm) = 0.8, 1.5, 2.0 eV; MM |
221.0 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with other primary amines using Fenselau/Wesdemiotis correction; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
210.2 ± 2.2 | Gross, Rodriguez-Cruz, et al., 1995 | T = 300K; 3-Fluoropyridine; i-Propylamine. Reference GBs readjusted to Hunter and Lias, 1998. Cited uncertainty is half of the ΔGB between the bracketing bases; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.5 | PE | Aue and Bowers, 1979 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 | Japan AIST/NIMC Database- Spectrum MS-NW- 666 |
NIST MS number | 229179 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Tasker, I.R.,
Thermodynamic properties and ideal-gas enthalpies of formation for cyclohexene, phthalan (2,5-dihydrobenzo-3,4-furan), isoxazole, octylamine, dioctylamine, trioctylamine, phenyl isocyanate, and 1,4,5,6-tetrahydropyrimidine,
J. Chem. Eng. Data, 1996, 41, 1269-1284. [all data]
Steele, Chirico, et al., 1993
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Tasker, I.R.,
Determination of ideal gas enthalpies of formation for key compounds the 1991 project results,
DIPPR Project, 1993, 871, NIPER-716. [all data]
Zvejnieks, 1954
Zvejnieks, A.,
Preparation and Properties of Some Pure Fatty and Rosin Amines.,
Sven. Kem. Tidskr., 1954, 66, 316. [all data]
Hoffman and Smyth, 1949
Hoffman, J.D.; Smyth, C.P.,
Molecular Freedom and Proton Transfer in Solid Long-Chain Amines.,
J. Am. Chem. Soc., 1949, 71, 3591. [all data]
Ralston, Hoerr, et al., 1942
Ralston, A.W.; Hoerr, C.W.; Hoffman, E.J.,
Studies on High Molecular Weight ALiphatic Amines and Their Salts. VII The Systems Octylamine, Dodecylamine, and Octadecylamine-Water,
J. Am. Chem. Soc., 1942, 64, 1516. [all data]
Steele, Chirico, et al., 1996, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Tasker, I.R.,
Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for Dioctylamine, trioctylamine, Phenyl Isocyanate, and 1,4,5,6-Tetrahydropyrimidine,
J. Chem. Eng. Data, 1996, 41, 1269-84. [all data]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Wang, Chu, et al., 1999
Wang, Z.; Chu, I.K.; Rodriquez, C.F.; Hopkinson, A.C.; Siu, K.W.M.,
α,ω-Diaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities,
J. Phys. Chem. A., 1999, 103, 8700. [all data]
Gross, Rodriguez-Cruz, et al., 1995
Gross, D.S.; Rodriguez-Cruz, S.E.; Bock, S.; Williams, E.R.,
Measurement of the Coulomb Energy and Dielectric Polarizability of Gas-Phase Diprotonated Diaminoalkanes,
J. Phys. Chem., 1995, 99, 4034. [all data]
Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T.,
Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements
in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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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