2-Methyl-1,2-propanediamine
- Formula: C4H12N2
- Molecular weight: 88.1515
- IUPAC Standard InChIKey: OPCJOXGBLDJWRM-UHFFFAOYSA-N
- CAS Registry Number: 811-93-8
- 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: 1,2-Diamino-2-methylpropane; 1,2-Propanediamine, 2-methyl-; Methyl-2 propanediamine-1,2; 2-methylpropylenediamine
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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 | -21.57 ± 0.17 | kcal/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 | -32.0 ± 0.16 | kcal/mol | Ccr | Good and Moore, 1970 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -754.09 ± 0.14 | kcal/mol | Ccr | Good and Moore, 1970 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 62.029 | cal/mol*K | N/A | Messerly, Finke, et al., 1975 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
56.061 | 298.15 | Messerly, Finke, et al., 1975 | T = 11 to 375 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:
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 |
---|---|---|---|---|---|
Ttriple | 256.1 | K | N/A | Messerly, Finke, et al., 1975, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.4 ± 0.05 | kcal/mol | IP | Douslin and Osborn, 2002 | See also Good and Moore, 1970.; AC |
ΔvapH° | 10.4 ± 0.05 | kcal/mol | IP | Messerly, Finke, et al., 1975 | Based on data from 256. to 293. K.; AC |
ΔvapH° | 10.43 ± 0.05 | kcal/mol | V | Good and Moore, 1970 | ALS |
ΔvapH° | 10.5 | kcal/mol | N/A | Good and Moore, 1970 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.3 | 278. | IP | Stephenson and Malanowski, 1987 | Based on data from 256. to 293. K. See also Messerly, Finke, et al., 1975.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.533 | 256.1 | Domalski and Hearing, 1996 | See also Messerly, Finke, et al., 1975.; AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.56 | 237.5 | Domalski and Hearing, 1996 | CAL |
2.08 | 256.1 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.6960 | 237.5 | crystaline, II | crystaline, I | Messerly, Finke, et al., 1975 | DH |
0.5330 | 256.1 | crystaline, I | liquid | Messerly, Finke, et al., 1975 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
15.56 | 237.5 | crystaline, II | crystaline, I | Messerly, Finke, et al., 1975 | DH |
2.08 | 256.1 | crystaline, I | liquid | Messerly, Finke, et al., 1975 | DH |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 06442 |
Date | 1964/11/13 |
State | LIQUID (NEAT) |
Instrument | DOW KBr FOREPRISM-GRATING |
Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON |
Path length | CAPILLARY |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 | Japan AIST/NIMC Database- Spectrum MS-IW-3659 |
NIST MS number | 237140 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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 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 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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