1-Propanol, 2-methyl-2-nitro-
- Formula: C4H9NO3
- Molecular weight: 119.1192
- IUPAC Standard InChIKey: MVGJRISPEUZYAQ-UHFFFAOYSA-N
- CAS Registry Number: 76-39-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Nitro-2-methylpropanol; 2-Methyl-2-nitro-1-propanol; 2-Nitro-2-methyl-1-propanol; 2-Methyl-2-nitropropanol; NMP; 2-methyl-2-nitropropan-1-ol
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -410.2 ± 1.7 | kJ/mol | Ccb | Currie, Bennett, et al., 1952 | |
ΔfH°solid | -410.2 ± 1.7 | kJ/mol | Ccb | Currie, 1950 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2450.1 ± 1.7 | kJ/mol | Ccb | Currie, Bennett, et al., 1952 | |
ΔcH°solid | -2450.1 ± 1.7 | kJ/mol | Ccb | Currie, 1950 |
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
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 |
---|---|---|---|---|---|
Tfus | 361.7 | K | N/A | Murrill and Breed, 1970 | Crystal phase 1 phase; Uncertainty assigned by TRC = 2. K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
367.7 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.17 | 363.9 | Salud, López, et al., 1999 | AC |
3.74 | 361. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
55.47 | 310. | Domalski and Hearing, 1996 | CAL |
10.35 | 361. |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
17.195 | 310. | crystaline, II | crystaline, I | Murrill and Breed, 1970, 2 | DH |
3.738 | 361. | 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 |
---|---|---|---|---|---|
55.6 | 310. | crystaline, II | crystaline, I | Murrill and Breed, 1970, 2 | DH |
10.5 | 361. | crystaline, I | liquid | Murrill and Breed, 1970, 2 | DH |
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 | RADIAN CORP |
NIST MS number | 71280 |
UV/Visible 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.
Spectrum
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Additional Data
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Source | Lipczynska-Kochany and Urbanski, 1977 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 17689 |
Instrument | Zeiss VSU-2P |
Gas Chromatography
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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
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 413. | 1898. | Boneva and Dimov, 1982 | N2; Column length: 24. m |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Salud, López, et al., 1999
Salud, Josep; López, David O.; Barrio, Maria; Tamarit, Josep Ll.,
Two-component systems of isomorphous orientationally disordered crystals. Part 1 Packing of the mixed crystals,
J. Mater. Chem., 1999, 9, 4, 909-916, https://doi.org/10.1039/a808258h
. [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]
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]
Lipczynska-Kochany and Urbanski, 1977
Lipczynska-Kochany, E.; Urbanski, T.,
Can. J. Chem., 1977, 55, 2504. [all data]
Boneva and Dimov, 1982
Boneva, S.; Dimov, N.,
Note. Glass capillary gas chromatography of C2-C5 2-nitro-1-alkanols,
J. Chromatogr., 1982, 240, 1, 215-217, https://doi.org/10.1016/S0021-9673(01)84026-7
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point 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 ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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