Chemical Properties of 3,5-Dimethoxyphenylacetonitrile (CAS 13388-75-5)

3,5-Dimethoxyphenylacetonitrile

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InChI
InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3
InChI Key
UUNRWZQWCNTSCV-UHFFFAOYSA-N
Formula
C10H11NO2
SMILES
COc1cc(CC#N)cc(OC)c1
Molecular Weight1
177.20
CAS
13388-75-5
Sources

Physical Properties

Property Value Unit Source
Δf 49.65 kJ/mol Joback Calculated Property
Δfgas -135.70 kJ/mol Joback Calculated Property
Δfus 18.80 kJ/mol Joback Calculated Property
Δvap 56.75 kJ/mol Joback Calculated Property
logPoct/wat 1.77 Crippen Calculated Property
Pc 2668.02 kPa Joback Calculated Property
Tboil 611.76 K Joback Calculated Property
Tc 831.48 K Joback Calculated Property
Tfus 363.37 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 332.82 J/mol×K 611.76 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzene, 1,3-dimethoxy-5-ethyl. (3-Methoxyphenyl)acetonitrile. 3-Ethyl-5-methoxyphenol. Benzene, 1,3-dimethoxy-5-(2-propenyl). Benzene, 1,3-dimethoxy-5-propyl. 3,5-Dimethoxyphenethylamine. 3-Methoxy-5-propylphenol. Benzene, 1,3-dimethoxy-5-butyl. m-Ethylanisole. Olivetol, dimethyl ether. Benzene, 1,3-dimethoxy-5-hexyl. Benzeneacetonitrile, 3,4-dimethoxy-. 3-(Trifluoromethoxy)phenylacetonitrile. 3,5-Dimethoxyphenylacetic acid. 3,5-Dimethoxytoluene.

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