- Formula: C3H7NO2
- Molecular weight: 89.0932
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: FGLBSLMDCBOPQK-UHFFFAOYSA-N
- CAS Registry Number: 79-46-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Dimethylnitromethane; Isonitropropane; 2-Nitropropane; i-C3H7NO2; sec-Nitropropane; Nipar S-20; Nitroisopropane; 2-NP; Nipar S-20 solvent; Nipar S-30 solvent; «beta»-Nitropropane; Rcra waste number U171; NSC 5369
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Condensed phase thermochemistry data
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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°liquid||-43.09 ± 0.20||kcal/mol||Ccb||Cass, Fletcher, et al., 1958||Reanalyzed by Cox and Pilcher, 1970, Original value = -43.2 ± 0.3 kcal/mol|
|fH°liquid||-43.78 ± 0.17||kcal/mol||Ccb||Holcomb and Dorsey, 1949|
|cH°liquid||-478.17 ± 0.86||kcal/mol||Ccb||Cass, Fletcher, et al., 1958||Reanalyzed by Cox and Pilcher, 1970, Original value = -478.0 ± 0.3 kcal/mol|
|cH°liquid||-477.43 ± 0.17||kcal/mol||Ccb||Holcomb and Dorsey, 1949|
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: John E. Bartmess
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.
C3H6NO2- + =
By formula: C3H6NO2- + H+ = C3H7NO2
|rH°||356.0 ± 2.2||kcal/mol||G+TS||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale|
|rH°||356.4 ± 2.9||kcal/mol||G+TS||Cumming and Kebarle, 1978||gas phase|
|rG°||350.0 ± 2.0||kcal/mol||IMRE||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale|
|rG°||350.3 ± 2.0||kcal/mol||IMRE||Cumming and Kebarle, 1978||gas phase|
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Quincey, P.G.; Springall, H.D., Heats of combustion and molecular structure. Part IV. Aliphatic nitroalkanes and nitric esters, J. Chem. Soc., 1958, 958-962. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Holcomb and Dorsey, 1949
Holcomb, D.E.; Dorsey, C.L., Jr., Thermodynamic properties of nitroparaffins, Ind. Eng. Chem., 1949, 41, 2788-2792. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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