1-Propanamine, 2-methyl-N-(2-methylpropyl)-
- Formula: C8H19N
- Molecular weight: 129.2432
- IUPAC Standard InChIKey: NJBCRXCAPCODGX-UHFFFAOYSA-N
- CAS Registry Number: 110-96-3
- 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: Diisobutylamine; N,N-Bis(2-methylpropyl)amine; Di(-2-methylpropyl)amine; (i-C4H9)2NH; UN 2361
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Gas 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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -180.8 ± 2.7 | kJ/mol | Ccb | Ribeiro da Silva, Ribeiro da Silva, et al., 1997 | ALS |
ΔfH°gas | -174.0 | kJ/mol | N/A | Lebedeva, Katin, et al., 1971 | Value computed using ΔfHliquid° value of -218.6±0.5 kj/mol from Lebedeva, Katin, et al., 1971 and ΔvapH° value of 44.6 kj/mol from Ribeiro da Silva, Ribeiro da Silva, et al., 1997.; DRB |
ΔfH°gas | -191.4 | kJ/mol | N/A | Lemoult, 1907 | Value computed using ΔfHliquid° value of -236.0 kj/mol from Lemoult, 1907 and ΔvapH° value of 44.6 kj/mol from Ribeiro da Silva, Ribeiro da Silva, et al., 1997.; DRB |
Phase change data
Go To: Top, Gas 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 | 412. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 196. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tfus | 199.65 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 203.15 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 584.4 | K | N/A | Toczylkin. L.S. and Young, 1980 | Uncertainty assigned by TRC = 0.58 K; Note: wrong formula given in Table 1; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 32.00 | bar | N/A | Toczylkin. L.S. and Young, 1980 | Uncertainty assigned by TRC = 0.3197 bar; Visual: Note - wrong formula given in Table 1; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 44.6 ± 1.5 | kJ/mol | V | Ribeiro da Silva, Ribeiro da Silva, et al., 1997 | ALS |
ΔvapH° | 44.6 | kJ/mol | N/A | Ribeiro da Silva, Ribeiro da Silva, et al., 1997 | DRB |
ΔvapH° | 39.3 | kJ/mol | N/A | Lebedeva, Katin, et al., 1971, 2 | Based on data from 291. to 305. K.; AC |
ΔvapH° | 43.1 ± 0.3 | kJ/mol | I | Franks and Watson, 1969 | Based on data from 273. to 333. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
43.8 | 283. | A | Stephenson and Malanowski, 1987 | Based on data from 268. to 413. K. See also Stull, 1947.; AC |
39. | 291. | V | Lebedeva, Katin, et al., 1971 | ALS |
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 |
---|---|---|---|---|---|
268.1 to 412.7 | 4.63706 | 1747.385 | -35.357 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Gas 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 958.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 925.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.8 | PE | Aue and Bowers, 1979 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas 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
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, 1998. |
NIST MS number | 291280 |
References
Go To: Top, Gas 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.
Ribeiro da Silva, Ribeiro da Silva, et al., 1997
Ribeiro da Silva, M.A.V.; Ribeiro da Silva, M.D.M.C.; Luisa, M.; Gomes, A.C.N.; Johnson, M.; Pilcher, G.,
Enthalpies of combustion of di-n-propylamine, diisopropylamine, diisobutylamine, and di-sec-butylamine,
J. Chem. Thermodyn., 1997, 29, 1025-1030. [all data]
Lebedeva, Katin, et al., 1971
Lebedeva, N.D.; Katin, Y.A.; Akhmedova, G.Y.,
Enthalpies of formation of dipropylamine, di-isopropylamine, dibutylamine, and di-isobutylamine,
Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 771-772. [all data]
Lemoult, 1907
Lemoult, M.P.,
Recherches theoriques et experimentales sur les chaleurs de combustion et de formation des composes organiques,
Ann. Chim. Phys., 1907, 12, 395-432. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F.,
Freezing points of orgainic substances VI. New experimental determinations.,
Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]
Timmermans, 1921
Timmermans, J.,
The Freezing Points of Organic Substances IV. New Exp. Determinations,
Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]
Toczylkin. L.S. and Young, 1980
Toczylkin. L.S.; Young, C.L.,
Gas-liquid criticl temperatures of mixtures containing electron donors. II. Amine mixtures,
J. Chem. Thermodyn., 1980, 12, 365. [all data]
Lebedeva, Katin, et al., 1971, 2
Lebedeva, N.D.; Katin, Y.A.; Akhmedova, G.Y.,
Russ. J. Phys. Chem., 1971, 45, 6, 771. [all data]
Franks and Watson, 1969
Franks, F.; Watson, B.,
Calorimetric study of dilute aqueous solutions of dialkylamines: hydration of alkyl groups,
Trans. Faraday Soc., 1969, 65, 2339, https://doi.org/10.1039/tf9696502339
. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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]
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, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas 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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