Chemical Properties of 4-Methoxy-3-methylphenylacetonitrile (CAS 75391-57-0)

4-Methoxy-3-methylphenylacetonitrile

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InChI
InChI=1S/C10H11NO/c1-8-7-9(5-6-11)3-4-10(8)12-2/h3-4,7H,5H2,1-2H3
InChI Key
QOMACJMHUFTRJI-UHFFFAOYSA-N
Formula
C10H11NO
SMILES
COc1ccc(CC#N)cc1C
Molecular Weight1
161.20
CAS
75391-57-0
Sources

Physical Properties

Property Value Unit Source
Δf 154.65 kJ/mol Joback Calculated Property
Δfgas -3.48 kJ/mol Joback Calculated Property
Δfus 17.61 kJ/mol Joback Calculated Property
Δvap 54.34 kJ/mol Joback Calculated Property
logPoct/wat 2.07 Crippen Calculated Property
Pc 2715.50 kPa Joback Calculated Property
Tboil 589.34 K Joback Calculated Property
Tc 811.87 K Joback Calculated Property
Tfus 341.14 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 309.79 J/mol×K 589.34 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,5-Dimethyl-4-methoxyphenylacetonitrile. 4-Methoxy-3-methylphenylacetic acid. Acetophenone, 4'-methoxy-3'-methyl-. 2,4-Dimethylanisole. Benzeneacetonitrile, 4-methoxy-. Phenol, 4-ethyl-2-methyl-. Benzene, 2-methoxy-1,3,5-trimethyl-. Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)-. Benzene, 1,3-dimethoxy-4-ethyl-2-methyl. (2-Methoxyphenyl)acetonitrile. 4-Isopropyl-2-methylphenol. Phenol, 4-isopropyl-2-methyl (Isocarvacrol). Phenol, 4-(1,1-dimethylethyl)-2-methyl-. 2-Methyl-4-propylphenol. Benzene, 1,3-dimethoxy-4,6-dimethyl.

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