1-Octanamine, N,N-dioctyl-
- Formula: C24H51N
- Molecular weight: 353.6684
- IUPAC Standard InChI: InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
- IUPAC Standard InChIKey: XTAZYLNFDRKIHJ-UHFFFAOYSA-N
- CAS Registry Number: 1116-76-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Trioctylamine; Alamine 336; Tri-n-octylamine; Tri-N-caprylylamine; Tricaprylamine; Tricaprylylamine; Alamine 336S; Alamine 3365; 336S; Alamine 308; Farmin 08; NSC 11034; TOA
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Gas phase thermochemistry data
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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
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -477. ± 15. | kJ/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
| ΔfH°gas | -474.8 | kJ/mol | N/A | Lebedeva, 1966 | Value computed using ΔfHliquid° value of -585.3±2.1 kj/mol from Lebedeva, 1966 and ΔvapH° value of 110.5 kj/mol from Steele, Chirico, et al., 1996.; DRB |
Condensed phase thermochemistry data
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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 | -587.5 ± 3.8 | kJ/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
| ΔfH°liquid | -585.3 ± 2.1 | kJ/mol | Ccb | Lebedeva, 1966 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -16145.4 ± 3.6 | kJ/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
| ΔcH°liquid | -16147.9 ± 2.1 | kJ/mol | Ccb | Lebedeva, 1966 | ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 750.8 | 298.15 | Steele, Chirico, et al., 1993 | DH |
Phase change data
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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 | 639.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 630.15 | K | N/A | Merz and Gasiorowski, 1884 | Uncertainty assigned by TRC = 4. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 238.55 | K | N/A | Ralston, Hoerr, et al., 1944 | Uncertainty assigned by TRC = 1. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 110. ± 15. | kJ/mol | V | Steele, Chirico, et al., 1996 | ALS |
| ΔvapH° | 110.5 | kJ/mol | N/A | Steele, Chirico, et al., 1996 | DRB |
| ΔvapH° | 110.4 ± 1.5 | kJ/mol | EB | Steele, Chirico, et al., 1996 | Based on data from 415. to 536. K.; AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 70.6 | 520. | A | Stephenson and Malanowski, 1987 | Based on data from 505. to 702. K.; AC |
Mass spectrum (electron ionization)
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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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| 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-9025 |
| NIST MS number | 236729 |
Gas Chromatography
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2297. | Hall, Whitehead, et al., 1986 | He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 270. C |
| Capillary | DB-5 | 2297. | Hall, Whitehead, et al., 1986 | He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 270. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 2290. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
References
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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]
Lebedeva, 1966
Lebedeva, N.D.,
Heats of combustion and formation of aliphatic tertiary amine homologues,
Russ. J. Phys. Chem. (Engl. Transl.), 1966, 40, 1465-1467. [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]
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]
Merz and Gasiorowski, 1884
Merz, V.; Gasiorowski, K.,
Chem. Ber., 1884, 17, 623. [all data]
Ralston, Hoerr, et al., 1944
Ralston, A.W.; Hoerr, C.W.; Du Brow, P.L.,
Solubilities of High-Molecular-Weight Symmetrical Normal Aliphatic Tertiary Amines.,
J. Org. Chem., 1944, 9, 259-66. [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]
Hall, Whitehead, et al., 1986
Hall, G.L.; Whitehead, W.E.; Mourer, C.R.; Shibamoto, T.,
A new gas chromatographic retention index for pesticides and related compounds,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 5, 266-271, https://doi.org/10.1002/jhrc.1240090503
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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