1,2-Propanediamine
- Formula: C3H10N2
- Molecular weight: 74.1249
- IUPAC Standard InChIKey: AOHJOMMDDJHIJH-UHFFFAOYSA-N
- CAS Registry Number: 78-90-0
- 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. - Species with the same structure:
- Other names: Propylenediamine; 1,2-Diaminopropane; 1,2-Propylenediamine; UN 2258
- Information on this page:
- Other data available:
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -53.60 ± 0.46 | kJ/mol | Ccr | Good and Moore, 1970 |
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 | -97.8 ± 0.4 | kJ/mol | Ccr | Good and Moore, 1970 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2511.9 ± 0.3 | kJ/mol | Ccr | Good and Moore, 1970 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 247.27 | J/mol*K | N/A | Messerly, Finke, et al., 1975 | Includes 5.77 J/mol*K for mixing of D and L isomers.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
205.64 | 298.15 | Messerly, Finke, et al., 1975 | T = 11 to 368 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.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 392.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 390.5 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 236.0 | K | N/A | Anonymous, 1955 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 236.530 | K | N/A | Messerly, Finke, et al., 1975, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 44.2 ± 0.2 | kJ/mol | IP | Douslin and Osborn, 2002 | See also Good and Moore, 1970.; AC |
ΔvapH° | 43.9 ± 0.2 | kJ/mol | IP | Messerly, Finke, et al., 1975 | Based on data from 242. to 293. K.; AC |
ΔvapH° | 44.2 ± 0.2 | kJ/mol | V | Good and Moore, 1970 | ALS |
ΔvapH° | 44.2 | kJ/mol | N/A | Good and Moore, 1970 | DRB |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.2 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 393. K.; AC |
47.2 | 278. | A,IP | Stephenson and Malanowski, 1987 | Based on data from 242. to 293. K. See also Messerly, Finke, et al., 1975.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.42 | 236.5 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.3 | 222. | Domalski and Hearing, 1996 | CAL |
77.89 | 236.5 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0674 | 222.0 | crystaline, II | crystaline, I | Messerly, Finke, et al., 1975 | DH |
18.4226 | 236.53 | crystaline, I | liquid | Messerly, Finke, et al., 1975 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.304 | 222.0 | crystaline, II | crystaline, I | Messerly, Finke, et al., 1975 | DH |
77.89 | 236.53 | crystaline, I | liquid | Messerly, Finke, et al., 1975 | 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
(C3H11N2+ • 2) + = (C3H11N2+ • 3)
By formula: (C3H11N2+ • 2C3H10N2) + C3H10N2 = (C3H11N2+ • 3C3H10N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.6 | kJ/mol | HPMS | Wincel and Herman, 1973 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 229. | J/mol*K | HPMS | Wincel and Herman, 1973 | gas phase; Entropy change is questionable |
Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
(C3H11N2+ • 2) + = (C3H11N2+ • 3)
By formula: (C3H11N2+ • 2C3H10N2) + C3H10N2 = (C3H11N2+ • 3C3H10N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.6 | kJ/mol | HPMS | Wincel and Herman, 1973 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 229. | J/mol*K | HPMS | Wincel and Herman, 1973 | gas phase; Entropy change is questionable |
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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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 | 291326 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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.
Good and Moore, 1970
Good, W.D.; Moore, R.T.,
Enthalpies of formation of ethylenediamine, 1,2,-propanediamine, 1,2,-butanediamine, 2-methyl-1,2-propanediamine, and isobutylamine C-N and N-F Thermochemical bond energies,
J. Chem. Eng. Data, 1970, 15, 150-154. [all data]
Messerly, Finke, et al., 1975
Messerly, J.F.; Finke, H.L.; Osborn, A.G.; Douslin, D.R.,
Low-temperature calorimetric and vapor-pressure studies on alkanediamines,
J. Chem. Thermodynam., 1975, 7, 1029-1046. [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]
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]
Anonymous, 1955
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 14, No. 1, Ohio State Univ., 1955. [all data]
Messerly, Finke, et al., 1975, 2
Messerly, J.F.; Finke, H.L.; Osborn, A.G.; Douslin, D.R.,
Low-temperature calorimetric and vapor-pressure studies on alkanediamines,
J. Chem. Thermodyn., 1975, 7, 1029-46. [all data]
Douslin and Osborn, 2002
Douslin, D.R.; Osborn, A.,
Pressure measurements in the 0.01-30 torr range with an inclined-piston gauge,
J. Sci. Instrum., 2002, 42, 6, 369-373, https://doi.org/10.1088/0950-7671/42/6/301
. [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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Wincel and Herman, 1973
Wincel, H.; Herman, J.A.,
Photoionization Study of Clustering Reactions in Diamines: Ethane-1,2-diamine, Propane-1,2-diamine and Propane-1,3-diamine,
J. Chem. Soc. Faraday Trans., 1973, 69, 1797, https://doi.org/10.1039/f19736901797
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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