2-Propanamine
- Formula: C3H9N
- Molecular weight: 59.1103
- IUPAC Standard InChIKey: JJWLVOIRVHMVIS-UHFFFAOYSA-N
- CAS Registry Number: 75-31-0
- 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. - Other names: Isopropylamine; sec-Propylamine; Monoisopropylamine; 1-Methylethylamine; 2-Aminopropane; 2-Propylamine; iso-C3H7NH2; Isopropilamina; Propane, 2-amino-; 2-Amino-propaan; 2-Amino-propano; 2-Aminopropan; UN 1221; iso-Propylamine gas; NSC 62775
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -20.0 ± 0.2 | kcal/mol | Cm | Scott, 1971 | |
ΔfH°gas | -20.02 ± 0.19 | kcal/mol | Ccr | Smith and Good, 1967 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 | -26.83 ± 0.16 | kcal/mol | Ccr | Smith and Good, 1967 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -562.74 ± 0.12 | kcal/mol | Ccr | Smith and Good, 1967 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 52.180 | cal/mol*K | N/A | Finke, Messerly, et al., 1972 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.161 | 298.15 | Finke, Messerly, et al., 1972 | T = 12 to 350 K.; DH |
39.2 | 298.15 | Konicek and Wadso, 1971 | DH |
39.51 | 298.15 | Smith and Good, 1967 | DH |
39.20 | 313. | Hough, Mason, et al., 1950 | T = 313 to 343 K.; 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 306. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 171.95 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 178.01 | K | N/A | Finke, Messerly, et al., 1972, 2 | Uncertainty assigned by TRC = 0.007 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 471.8 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 471.9 | K | N/A | Kobe and Mathews, 1970 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 44.81 | atm | N/A | Kobe and Mathews, 1970 | Uncertainty assigned by TRC = 0.5000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.53 | mol/l | N/A | Kobe and Mathews, 1970 | Uncertainty assigned by TRC = 0.00009 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.862 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 6.79 | kcal/mol | N/A | Majer, Svoboda, et al., 1979 | AC |
ΔvapH° | 6.81 ± 0.05 | kcal/mol | V | Smith and Good, 1967 | ALS |
ΔvapH° | 6.81 | kcal/mol | N/A | Smith and Good, 1967 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.652 | 304.9 | N/A | Majer and Svoboda, 1985 | |
7.10 | 292. | A,EB,IP | Stephenson and Malanowski, 1987 | Based on data from 277. to 334. K. See also Osborn and Douslin, 1968 and Dykyj, 1970.; AC |
6.50 | 313. | N/A | Majer, Svoboda, et al., 1979 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 313. | 11.90 | 0.345 | 471.8 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
277.07 to 334.13 | 4.00936 | 985.65 | -59.079 | Osborn and Douslin, 1968 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.7506 | 177.99 | Finke, Messerly, et al., 1972 | DH |
1.75 | 178. | Acree, 1991 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.835 | 177.99 | Finke, Messerly, et al., 1972 | DH |
Reaction 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
(C3H210N+ • 2) +
= (C3H210N+ • 3
)
By formula: (C3H210N+ • 2C3H9N) + C3H9N = (C3H210N+ • 3C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.2 | kcal/mol | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 39.3 | cal/mol*K | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
(C3H210N+ • ) +
= (C3H210N+ • 2
)
By formula: (C3H210N+ • C3H9N) + C3H9N = (C3H210N+ • 2C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 42.6 | cal/mol*K | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
C3H8N- + =
By formula: C3H8N- + H+ = C3H9N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 397.2 ± 3.1 | kcal/mol | G+TS | Brauman and Blair, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 389.9 ± 3.0 | kcal/mol | IMRB | Brauman and Blair, 1971 | gas phase; B |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 |
NIST MS number | 341956 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.
Scott, 1971
Scott, D.W.,
1-Aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane. Vibrational assignments, conformational analyses, and chemical thermodynamic properties,
J. Chem. Thermodyn., 1971, 3, 843-852. [all data]
Smith and Good, 1967
Smith, N.K.; Good, W.D.,
Enthalpies of combustion and formation of propylamine, isopropylamine, and tert-butylamine,
J. Chem. Eng. Data, 1967, 12, 572-574. [all data]
Finke, Messerly, et al., 1972
Finke, H.L.; Messerly, J.F.; Todd, S.S.,
Thermodynamic properties of acrylonitrile, 1-aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane,
J. Chem. Thermodynam., 1972, 4, 359-374. [all data]
Konicek and Wadso, 1971
Konicek, J.; Wadso, I.,
Thermochemical properties of some carboxylic acids, amines and N-substituted amides in aqueous solution,
Acta Chem. Scand., 1971, 25, 1541-1551. [all data]
Hough, Mason, et al., 1950
Hough, E.W.; Mason, D.M.; Sage, B.H.,
Heat capacities of several organic liquids,
J. Am. Chem. Soc., 1950, 72, 5775-5777. [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]
Finke, Messerly, et al., 1972, 2
Finke, H.L.; Messerly, J.F.; Todd, S.S.,
Thermodynamic properties of acrylonitrile, 1-aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane,
J. Chem. Thermodyn., 1972, 4, 359. [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]
Kobe and Mathews, 1970
Kobe, K.A.; Mathews, J.F.,
Critical Properties and Vapor Pressures of Some Organic Nitrogen and Oxygen Compounds,
J. Chem. Eng. Data, 1970, 15, 182. [all data]
Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Koubek, Josef; Pick, Jirí,
Temperature dependence of heats of vaporization, saturated vapour pressures and cohesive energies for a group of amines,
Collect. Czech. Chem. Commun., 1979, 44, 12, 3521-3528, https://doi.org/10.1135/cccc19793521
. [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]
Osborn and Douslin, 1968
Osborn, Ann G.; Douslin, Donald R.,
Vapor pressure relations of 13 nitrogen compounds related to petroleum,
J. Chem. Eng. Data, 1968, 13, 4, 534-537, https://doi.org/10.1021/je60039a024
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Zielinska and Wincel, 1974
Zielinska, T.J.; Wincel, H.,
Gas - Phase Solvation of Protonated Aliphatic Amines: Methyl, Ethyl, n - Propyl, and Iso - Propylamine,
Chem. Phys. Lett., 1974, 25, 354. [all data]
Brauman and Blair, 1971
Brauman, J.I.; Blair, L.K.,
Gas phase acidities of amines,
J. Am. Chem. Soc., 1971, 93, 3911. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction 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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