Chemical Properties of 4-Butoxyphenylacetonitrile (CAS 38746-93-9)

4-Butoxyphenylacetonitrile

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InChI
InChI=1S/C12H15NO/c1-2-3-10-14-12-6-4-11(5-7-12)8-9-13/h4-7H,2-3,8,10H2,1H3
InChI Key
SKTHXBXIQFAXPC-UHFFFAOYSA-N
Formula
C12H15NO
SMILES
CCCCOc1ccc(CC#N)cc1
Molecular Weight1
189.25
CAS
38746-93-9
Sources

Physical Properties

Property Value Unit Source
Δf 181.12 kJ/mol Joback Calculated Property
Δfgas -33.29 kJ/mol Joback Calculated Property
Δfus 23.18 kJ/mol Joback Calculated Property
Δvap 58.13 kJ/mol Joback Calculated Property
logPoct/wat 2.93 Crippen Calculated Property
Pc 2276.24 kPa Joback Calculated Property
Tboil 630.12 K Joback Calculated Property
Tc 844.01 K Joback Calculated Property
Tfus 351.16 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 406.16 J/mol×K 630.12 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzeneacetonitrile, 4-methoxy-. BENZENE, 1-ETHOXY-4-ETHYL-. 4-Methylphenol, n-butyl ether. 4-(n-Butoxyphenyl)acetic acid. 4'-Butoxyacetophenone. 4-Ethoxyphenethyl alcohol. Benzene, 1-(1,1-dimethylethyl)-4-ethoxy-. 4-Ethoxyphenethylamine. Ether, butyl p-(1,1-dimethylpropyl)phenyl. P-isopropylphenyl allyl ether. 1-Ethyl-4-methoxybenzene. p-Butoxybenzonitrile. 4-(Trifluoromethoxy)phenylacetonitrile. (4-pentoxy-phenyl)-acetic acid, methyl ester. P-BUTOXYBENZYL ALCOHOL.

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