Propanediamide
- Formula: C3H6N2O2
- Molecular weight: 102.0919
- IUPAC Standard InChIKey: WRIRWRKPLXCTFD-UHFFFAOYSA-N
- CAS Registry Number: 108-13-4
- 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: Malonamide; Malondiamide; Malonic acid diamide; Malonodiamide; Carboxamidoacetamide; Malonyldiamide
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Gas phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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 | -99.52 ± 0.1 | kcal/mol | Ccr | Imamura, Takahashi, et al., 1989 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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
AC - William E. Acree, Jr., James S. Chickos
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 30.2 ± 0.1 | kcal/mol | C | Imamura, Takahashi, et al., 1989 | ALS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
30.2103 | 298.15 | Imamura, Takahashi, et al., 1989 | DH |
Entropy of sublimation
ΔsubS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
101.3 | 298.15 | Imamura, Takahashi, et al., 1989 | DH |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.134 | 444.2 | DSC | Badea, Gatta, et al., 2006 | AC |
8.56 | 443. | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.15 | 393. | Domalski and Hearing, 1996 | CAL |
19.31 | 443. |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.4541 | 393. | crystaline, II | crystaline, I | Sakiyama and Imamura, 1989 | DH |
8.5564 | 443. | crystaline, I | liquid | Sakiyama and Imamura, 1989 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas Chromatography, 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
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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-NW-4990 |
NIST MS number | 230068 |
Gas Chromatography
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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1125. | Touafek, Nacer, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (15min) |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Imamura, Takahashi, et al., 1989
Imamura, A.; Takahashi, K.; Murata, S.; Sakiyama, M.,
Standard enthalpies of formation of trimethyl cyanurate, malonamide, and 1,3-dimethyluracil,
J. Chem. Thermodyn., 1989, 21, 237-246. [all data]
Badea, Gatta, et al., 2006
Badea, Elena; Gatta, Giuseppe Della; D'Angelo, Domenico; Brunetti, Bruno; Recková, Zuzana,
Odd--even effect in melting properties of 12 alkane-α,ω-diamides,
The Journal of Chemical Thermodynamics, 2006, 38, 12, 1546-1552, https://doi.org/10.1016/j.jct.2006.04.004
. [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]
Sakiyama and Imamura, 1989
Sakiyama, M.; Imamura, A.,
Thermoanalytical characterization of 1,3-dimethyluracil and malonamide crystals,
Thermochim. Acta, 1989, 142(2), 365-370. [all data]
Touafek, Nacer, et al., 2005
Touafek, O.; Nacer, A.; Kabouche, A.; Kabouche, Z.,
Analysis of the Essential Oil of Algerian Hypericum perfoliatum (L),
Flavour Fragr. J., 2005, 20, 6, 669-670, https://doi.org/10.1002/ffj.1545
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔHtrs Enthalpy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔsubS Entropy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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