Chemical Properties of 4-Tert-butyl-2-nitrophenol (CAS 3279-07-0)

4-Tert-butyl-2-nitrophenol

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InChI
InChI=1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3
InChI Key
IHGNADPMUSNTJW-UHFFFAOYSA-N
Formula
C10H13NO3
SMILES
CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1
Molecular Weight1
195.22
CAS
3279-07-0
Other Names
  • Phenol, 4-(1,1-dimethylethyl)-2-nitro
Sources

Physical Properties

Property Value Unit Source
Δf 19.87 kJ/mol Joback Calculated Property
Δfgas -221.49 kJ/mol Joback Calculated Property
Δfus 25.04 kJ/mol Joback Calculated Property
Δvap 69.10 kJ/mol Joback Calculated Property
logPoct/wat 2.60 Crippen Calculated Property
Pc 3534.66 kPa Joback Calculated Property
Tboil 689.09 K Joback Calculated Property
Tc 946.78 K Joback Calculated Property
Tfus 499.15 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 408.40 J/mol×K 689.09 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 3
-NO2 1
=C< (ring) 3
>C< 1
-CH3 3
-OH (phenol) 1

Similar Compounds

Phenol, 4-(1-methylethyl)-2-nitro. Phenol, 4-(1,1-dimethylpropyl)-2-nitro. Phenol, 4-(1-methylpropyl)-2-nitro. Phenol, 4-(1-ethylpropyl)-2-nitro. Phenol, 4-(1-methylbutyl)-2-nitro. Phenol, 4-(1-ethylbutyl)-2-nitro. Phenol, 4-(1-methylpentyl)-2-nitro. Ethanone, 1-(4-hydroxy-3-nitrophenyl)-. Phenol, 2-(1-methylethyl)-6-nitro. 4-Hydroxy-3-nitrophenylacetic acid. 4-Ethyl-2,6-dinitrophenol. Phenol, 4-methyl-2-nitro-. 1-tert-Butyl-3-nitrobenzene. Phenol, 2-(1,1-dimethylpropyl)-6-nitro. 4-Hydroxy-3-nitrobenzaldehyde.

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