Chemical Properties of Propane, 2-methyl-2-nitro- (CAS 594-70-7)

Propane, 2-methyl-2-nitro-

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InChI
InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3
InChI Key
AIMREYQYBFBEGQ-UHFFFAOYSA-N
Formula
C4H9NO2
SMILES
CC(C)(C)[N+](=O)[O-]
Molecular Weight1
103.12
CAS
594-70-7
Other Names
  • (CH3)3CNO2
  • 1,1-Dimethyl-1-nitroethane
  • 2-Methyl-2-nitropropane
  • 2-Nitro-2-methylpropane
  • 2-Nitroisobutane
  • Trimethylnitromethane
  • nitro-tert-butane
  • tert-Nitrobutane
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2630.00 ± 3.00 kJ/mol NIST
Δf 21.19 kJ/mol Joback Calculated Property
Δfgas -177.10 ± 3.30 kJ/mol NIST
Δfsolid -230.00 ± 3.00 kJ/mol NIST
Δfus 10.06 kJ/mol Joback Calculated Property
Δvap 39.79 kJ/mol Joback Calculated Property
logPoct/wat 1.062 Crippen Calculated Property
Pc 4051.80 kPa Joback Calculated Property
Tboil [399.00; 400.65] K Show Hide
Tboil 400.40 K NIST
Tboil 400.50 ± 0.50 K NIST
Tboil 400.65 ± 0.15 K NIST
Tboil 400.31 ± 0.06 K NIST
Tboil 399.00 ± 3.00 K NIST
Tc 661.08 K Joback Calculated Property
Tfus 298.65 ± 1.50 K NIST
Tfus 299.38 ± 0.06 K NIST
Vc 0.331 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 173.05 J/mol×K 439.53 Joback Calculated Property
ΔfusH 2.60 kJ/mol 299.2 NIST
ΔvapH 39.10 kJ/mol 367.5 NIST

Molecular Descriptors

Joback and Reid Groups
-NO2 1
-CH3 3
>C< 1

Similar Compounds

Propane, 2-nitro-. 1-Propanol, 2-methyl-2-nitro-. Butane, 2-nitro-. 2-Nitro-1-propanol. Ethane, nitro-. Propane, 1-nitro-. 2-Bromo-2-nitropropane. 2-Nitro-2-methyl-1,3-propanediol. Butane, 2,3-dimethyl-2-nitro-. Propane, 2-methyl-1-nitro-. Ethanol, 2-nitro-. 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-. 2-Chloro-2-nitropropane. Pentane, 2-nitro-. Ethane, 1-chloro-2-nitro-.

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