1-Propanamine, N-propyl-
- Formula: C6H15N
- Molecular weight: 101.1900
- IUPAC Standard InChIKey: WEHWNAOGRSTTBQ-UHFFFAOYSA-N
- CAS Registry Number: 142-84-7
- 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: Dipropylamine; Di-n-propylamine; N-Dipropylamine; (n-C3H7)2NH; N-Propyl-1-propanamine; Rcra waste number U110; UN 2383; N-Propyl-propylamine
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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 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 | -27.84 ± 0.38 | kcal/mol | Ccb | Ribeiro da Silva, Ribeiro da Silva, et al., 1997 | ALS |
ΔfH°gas | -28.23 | kcal/mol | N/A | Lebedeva, Katin, et al., 1971 | Value computed using ΔfHliquid° value of -156.2±0.4 kj/mol from Lebedeva, Katin, et al., 1971 and ΔvapH° value of 38.1 kj/mol from Ribeiro da Silva, Ribeiro da Silva, et al., 1997.; 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -36.95 ± 0.36 | kcal/mol | Ccb | Ribeiro da Silva, Ribeiro da Silva, et al., 1997 | |
ΔfH°liquid | -37.33 ± 0.10 | kcal/mol | Ccb | Lebedeva, Katin, et al., 1971 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1039.7 ± 0.31 | kcal/mol | Ccb | Ribeiro da Silva, Ribeiro da Silva, et al., 1997 | |
ΔcH°liquid | -1039.36 ± 0.10 | kcal/mol | Ccb | Lebedeva, Katin, et al., 1971 |
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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 383. ± 2. | K | AVG | N/A | Average of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 209.6 | K | N/A | Anonymous, 1958 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tfus | 210.15 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 233.55 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 555.8 | K | N/A | Toczylkin. L.S. and Young, 1980 | Uncertainty assigned by TRC = 0.55 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 35.83 | atm | N/A | Toczylkin. L.S. and Young, 1980 | Uncertainty assigned by TRC = 0.3580 atm; Visual; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.6 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.000 | 382.4 | N/A | Majer and Svoboda, 1985 | |
9.56 | 336. | N/A | Resa, González, et al., 2000 | Based on data from 321. to 382. K.; AC |
9.51 | 317. | A | Stephenson and Malanowski, 1987 | Based on data from 302. to 422. K. See also Dykyj, 1972.; AC |
9.9 | 291. | V | Lebedeva, Katin, et al., 1971 | ALS |
Henry's Law 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
19. | M | N/A |
Gas phase ion energetics 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 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 230.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 222.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.8 ± 0.1 | PE | Aue, Webb, et al., 1976 | LLK |
7.84 ± 0.02 | PI | Watanabe and Mottl, 1957 | RDSH |
8.6 ± 0.3 | PE | Peel and Willett, 1977 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, 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]
Anonymous, 1958
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1958. [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]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Resa, González, et al., 2000
Resa, José M.; González, Cristina; Ortiz de Landaluce, Salomé; Lanz, Juan,
Vapor-Liquid Equilibrium of Binary Mixtures Containing Diethylamine + Diisopropylamine, Diethylamine + Dipropylamine, and Chloroform + Diisopropylamine at 101.3 kPa, and Vapor Pressures of Dipropylamine,
J. Chem. Eng. Data, 2000, 45, 5, 867-871, https://doi.org/10.1021/je000020g
. [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]
Dykyj, 1972
Dykyj, J.,
Petrochemia, 1972, 12, 1, 13. [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, Webb, et al., 1976
Aue, D.H.; Webb, H.M.; Bowers, M.T.,
Quantitative proton affinities, ionization potentials, and hydrogen affinities of alkylamines,
J. Am. Chem. Soc., 1976, 98, 311. [all data]
Watanabe and Mottl, 1957
Watanabe, K.; Mottl, J.R.,
Ionization potentials of ammonia and some amines,
J. Chem. Phys., 1957, 26, 1773. [all data]
Peel and Willett, 1977
Peel, J.B.; Willett, G.D.,
Photoelectron spectroscopic studies of the propyl- and allyl- substituted amines,
Aust. J. Chem., 1977, 30, 2571. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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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