2-Nitro-2-methyl-1,3-propanediol
- Formula: C4H9NO4
- Molecular weight: 135.1186
- IUPAC Standard InChIKey: LOTYADDQWWVBDJ-UHFFFAOYSA-N
- CAS Registry Number: 77-49-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Methyl-2-nitro-1,3-propanediol; 1,3-Propanediol, 2-methyl-2-nitro-; Nitroisobutylglycol; NMPD; 1,1-Dimethylol-1-nitroethane; 2-Methyl-2-nitropropane-1,3-diol; 2-Methyl-2-nitropropanediol; NSC 5372
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Condensed phase thermochemistry data
Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -570.5 ± 2.3 | kJ/mol | Ccb | Medard and Thomas, 1954 | Heat of combustion corrected for pressure |
ΔfH°solid | -566.10 | kJ/mol | Ccb | Medard, 1954 | Heat of combustion corrected for pressure |
ΔfH°solid | -580.1 ± 2.8 | kJ/mol | Ccb | Currie, Bennett, et al., 1952 | see Currie, 1950 |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2289.8 ± 2.3 | kJ/mol | Ccb | Medard and Thomas, 1954 | Heat of combustion corrected for pressure |
ΔcH°solid | -2294.20 | kJ/mol | Ccb | Medard, 1954 | Heat of combustion corrected for pressure |
ΔcH°solid | -2280.3 ± 2.8 | kJ/mol | Ccb | Currie, Bennett, et al., 1952 | see Currie, 1950 |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 424. | K | N/A | Murrill and Breed, 1970 | Crystal phase 1 phase; Uncertainty assigned by TRC = 4. K; TRC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.84 | 424. | Domalski and Hearing, 1996 | See also López, Van Braak, et al., 1994.; AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
25.723 | 352. | crystaline, II | crystaline, I | Murrill and Breed, 1970, 2 | DH |
3.844 | 424. | crystaline, I | liquid | Murrill and Breed, 1970, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
73.22 | 352. | crystaline, II | crystaline, I | Murrill and Breed, 1970, 2 | DH |
9.2 | 424. | crystaline, I | liquid | Murrill and Breed, 1970, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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 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 | Chemical Concepts |
NIST MS number | 190465 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
Medard and Thomas, 1954
Medard, L.; Thomas, M.,
Chaleurs de combustion de vingt-quatre substances explosives ou apparentees a des explosifs,
Mem. Poudres, 1954, 36, 97-127. [all data]
Medard, 1954
Medard, L.,
Tables thermochimiques a l'usage des techniciens des substances explosives,
Mem. Artillerie Fr. Sci. Tech. Armement, 1954, 28, 415-492. [all data]
Currie, Bennett, et al., 1952
Currie, R.M.; Bennett, C.O.; Holcomb, D.E.,
Heats of combustion of some nitro alcohols,
Ind. Eng. Chem., 1952, 44, 329-331. [all data]
Currie, 1950
Currie, R.M.,
Heats of combustion of some nitroalcohols, Thesis for Purdue University, 1950, 1-84. [all data]
Murrill and Breed, 1970
Murrill, E.; Breed, L.W.,
Solid-solid phase transitions determined by differential scanning calorime- try. Part I. Tetrahedral Substances.,
Thermochim. Acta, 1970, 1, 239. [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]
López, Van Braak, et al., 1994
López, D.O.; Van Braak, J.; Tamarit, J.L.L.; Oonk, H.A.J.,
Thermodynamic phase diagram analysis of three binary systems shared by five neopentane derivatives,
Calphad, 1994, 18, 4, 387-396, https://doi.org/10.1016/0364-5916(94)90016-7
. [all data]
Murrill and Breed, 1970, 2
Murrill, E.; Breed, L.,
Solid-solid phase transitions determined by differential scanning calorimetry,
Thermochim. Acta, 1970, 1, 239-246. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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