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

2-Nitro-3-methyl-1-butanol

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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
Sources

Physical Properties

Property Value Unit Source
Δf -114.93 kJ/mol Joback Calculated Property
Δfgas -320.08 kJ/mol Joback Calculated Property
Δfus 17.11 kJ/mol Joback Calculated Property
Δvap 59.22 kJ/mol Joback Calculated Property
logPoct/wat 0.280 Crippen Calculated Property
Pc 4015.93 kPa Joback Calculated Property
Tboil 556.94 K Joback Calculated Property
Tc 757.03 K Joback Calculated Property
Tfus 320.54 K Joback Calculated Property
Vc 0.405 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 253.86 J/mol×K 556.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-NO2 1
-CH2- 1
-CH3 2
-OH (alcohol) 1

Similar Compounds

2-Nitro-1-butanol. 2-Nitro-1-pentanol. 2-Nitro-2-isopropyl-1,3-propanediol. 2-Nitro-2-methyl-1-butanol. 3-Nitro-2-butanol. Butane, 2,3-dimethyl-2-nitro-. 2-Nitro-2-ethyl-1,3-propanediol. 2-Nitro-1-propanol. Butane, 2-nitro-. 1-Propanol, 2-methyl-2-nitro-. Pentane, 2-nitro-. Propane, 2-methyl-1-nitro-. Hexane, 2-nitro-. 2-Nitro-2-methyl-1,3-propanediol. 1-Butanol, 2-amino-3-methyl-, (.+/-.)-.

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