Chemical Properties of 2-Nitro-3-methyl-1-butanol (CAS 77392-54-2)

2-Nitro-3-methyl-1-butanol

InChI
InChI=1S/C5H11NO3/c1-4(2)5(3-7)6(8)9/h4-5,7H,3H2,1-2H3
InChI Key
DMIRKUOHEBAINR-UHFFFAOYSA-N
Formula
C5H11NO3
SMILES
CC(C)C(CO)[N+](=O)[O-]
Molecular Weight1
133.15
CAS
77392-54-2
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Physical Properties

Property Value Unit Source
ω 0.6161 Relay (1.0) Calculated Property
ΔfusH° 17.11 kJ/mol Joback Calculated Property
ΔvapH° 67.41 kJ/mol Relay (1.0) Calculated Property
IE 10.35 eV Relay (1.0) Calculated Property
log10WS -1.16 Relay (1.0) Calculated Property
logPoct/wat 0.280 Crippen Calculated Property
McVol 104.600 ml/mol McGowan Calculated Property
Pc 4015.93 kPa Joback Calculated Property
Tboil 482.77 K Relay (1.0) Calculated Property
Tc 702.78 K Relay (1.0) Calculated Property
Tfus 283.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [253.86; 303.25] J/mol×K [556.94; 757.03] Show Hide
Cp,gas 253.86 J/mol×K 556.94 Joback Calculated Property
Cp,gas 263.29 J/mol×K 590.29 Joback Calculated Property
Cp,gas 272.23 J/mol×K 623.64 Joback Calculated Property
Cp,gas 280.67 J/mol×K 656.98 Joback Calculated Property
Cp,gas 288.65 J/mol×K 690.33 Joback Calculated Property
Cp,gas 296.16 J/mol×K 723.68 Joback Calculated Property
Cp,gas 303.25 J/mol×K 757.03 Joback Calculated Property

Similar Compounds

1-Butanol, 2-nitro-. 2-Nitro-2-isopropyl-1,3-propanediol. 2-Nitro-1-pentanol. (S)-(+)-2-Amino-3-methyl-1-butanol. 1-Butanol, 2-amino-3-methyl-, (.+/-.)-. 3-NITRO-2-BUTANOL. 2-Nitro-2-methyl-1-butanol. 2-ETHYL-2-NITROPROPANE-1,3-DIOL. (S)-(+)-Isoleucinol. N-2-(1-hydroxy-3-methyl) butylbenzamide. Bicyclo[2.2.1]heptan-2-ol,3-(dimethylamino)-(endo,endo)-. 1H-Pyrrolizine-1-methanol, hexahydro-7-hydroxy-, [1S-(1«alpha»,7«alpha»,7a«beta»)]-. Janfestine. (S)-(+)-4-Isopropyl-2-oxazolidinone. Isoipanguline D3.

Find more compounds similar to 2-Nitro-3-methyl-1-butanol.

Sources

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