Chemical Properties of p-Butoxybenzonitrile (CAS 5203-14-5)

p-Butoxybenzonitrile

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InChI
InChI=1S/C11H13NO/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7H,2-3,8H2,1H3
InChI Key
RRGQINKVTNAIBB-UHFFFAOYSA-N
Formula
C11H13NO
SMILES
CCCCOc1ccc(C#N)cc1
Molecular Weight1
175.23
CAS
5203-14-5
Other Names
  • 4-(n-Butoxy)benzonitrile
  • Benzonitrile, 4-butoxy-
Sources

Physical Properties

Property Value Unit Source
Δf 172.70 kJ/mol Joback Calculated Property
Δfgas -12.65 kJ/mol Joback Calculated Property
Δfus 20.59 kJ/mol Joback Calculated Property
Δvap 55.91 kJ/mol Joback Calculated Property
logPoct/wat 2.74 Crippen Calculated Property
Pc 2500.00 kPa Joback Calculated Property
Tboil 398.50 ± 0.50 K NIST
Tc 824.82 K Joback Calculated Property
Tfus 339.89 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 357.61 J/mol×K 607.24 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

p-Octyloxybenzonitrile. 4-Ethoxybenzoic acid nitrile. 4-Methylphenol, n-butyl ether. Butyric acid, ester with p-hydroxybenzonitrile. Benzonitrile, 4-methoxy-. Valeric acid, 4-cyanophenyl ester. P-BUTOXYBENZYL ALCOHOL. Benzaldehyde, 4-butoxy-. Benzenemethanamine, 4-butoxy-, hydrochloride (1:1). Succinic acid, di(4-cyanophenyl) ester. Glutaric acid, di(4-cyanophenyl) ester. Cyclopropanecarboxylic acid, 4-cyanophenyl ester. 2-Methylpropionic acid, 4-cyanophenyl ester. Benzaldehyde, 4-(pentyloxy)-. 5-Bromovaleric acid, 4-cyanophenyl ester.

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