Chemical Properties of Anisole, 2-sec-butyl-4,6-dinitro- (CAS 6099-79-2)

Anisole, 2-sec-butyl-4,6-dinitro-

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InChI
InChI=1S/C11H14N2O5/c1-4-7(2)9-5-8(12(14)15)6-10(13(16)17)11(9)18-3/h5-7H,4H2,1-3H3
InChI Key
UVYHORVGKZXEMP-UHFFFAOYSA-N
Formula
C11H14N2O5
SMILES
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC
Molecular Weight1
254.24
CAS
6099-79-2
Other Names
  • 2,4-Dinitro-6-sec-butylphenol methyl ether
  • DNBPME
  • Dinoseb methyl ester
  • Dinoseb, methyl ether
  • Phenol, 2-(1-methylpropyl), 4,6-dinitro, methyl ether
  • Phenol, 2-(1-methylpropyl)-4,6-dinitro-, methylated
Sources

Physical Properties

Property Value Unit Source
Δf 88.92 kJ/mol Joback Calculated Property
Δfgas -227.27 kJ/mol Joback Calculated Property
Δfus 37.51 kJ/mol Joback Calculated Property
Δvap 79.55 kJ/mol Joback Calculated Property
logPoct/wat 3.03 Crippen Calculated Property
Pc 2568.89 kPa Joback Calculated Property
Tboil 818.36 K Joback Calculated Property
Tc 1069.43 K Joback Calculated Property
Tfus 572.16 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 526.31 J/mol×K 818.36 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
=CH- (ring) 2
-NO2 2
=C< (ring) 4
-CH2- 1
-CH3 3

Similar Compounds

Dinoseb acetate. 2-Sec-butyl-4,6-dinitrophenol. Binapacryl. 2-Cyclohexyl-4,6-dinitrophenyl propionate. 2-tert-Butyl-4,6-dinitrophenyl acetate. Musk ambrette (artificial). 2-Tert-butyl-4,6-dinitrophenol. 2-tert-Butyl-4,6-dinitrophenyl trifluoroacetate. Phenol, 2-(1-methylpropyl)-6-nitro. Phenol, 2-(1-ethylpropyl)-6-nitro. Phenol, 2,4-dinitro-6-ethyl-. Phenol, 2-(1,1-dimethylpropyl)-6-nitro. Phenol, 2-(1-methylbutyl)-6-nitro. Phenol, 2-methyl-4,6-dinitro, acetate. Phenol, 2-(1-methylpentyl)-6-nitro.

Find more compounds similar to Anisole, 2-sec-butyl-4,6-dinitro-.

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