Chemical Properties of Phenol, 2,4-dinitro-6-ethyl- (CAS 4099-71-2)

Phenol, 2,4-dinitro-6-ethyl-

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InChI
InChI=1S/C8H8N2O5/c1-2-5-3-6(9(12)13)4-7(8(5)11)10(14)15/h3-4,11H,2H2,1H3
InChI Key
SYWMIOFIFBKHTK-UHFFFAOYSA-N
Formula
C8H8N2O5
SMILES
CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
Molecular Weight1
212.16
CAS
4099-71-2
Sources

Physical Properties

Property Value Unit Source
Δf 26.11 kJ/mol Joback Calculated Property
Δfgas -193.69 kJ/mol Joback Calculated Property
Δfus 38.24 kJ/mol Joback Calculated Property
Δvap 83.20 kJ/mol Joback Calculated Property
IE 9.98 ± 0.08 eV NIST
logPoct/wat 1.77 Crippen Calculated Property
Pc 4374.18 kPa Joback Calculated Property
Tboil 803.38 K Joback Calculated Property
Tc 1075.70 K Joback Calculated Property
Tfus 630.32 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 385.59 J/mol×K 803.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 2
-NO2 2
=C< (ring) 4
-CH2- 1
-CH3 1
-OH (phenol) 1

Similar Compounds

2-Tert-butyl-4,6-dinitrophenol. Phenol, 2-methyl-4,6-dinitro-. 2-Sec-butyl-4,6-dinitrophenol. 3,5-Dinitrosalicylaldehyde. Phenol, 2-(1-methylethyl)-6-nitro. 4-Ethyl-2,6-dinitrophenol. O-cresol, 4,6-dinitro-, sodium salt. Anisole, 2-sec-butyl-4,6-dinitro-. Alpha-(dimethylamino)-4,6-dinitro-o-cresol. Phenol, 2-(1-methylpropyl)-6-nitro. Phenol, 2-(1-ethylpropyl)-6-nitro. Phenol, 2-(1,1-dimethylpropyl)-6-nitro. Phenol, 2-(1-methylbutyl)-6-nitro. Phenol, 2-(1-methylpentyl)-6-nitro. Phenol, 2-(1-ethylbutyl)-6-nitro.

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