Chemical Properties of Benzoic acid, 1-methylpropyl ester (CAS 3306-36-3)

Benzoic acid, 1-methylpropyl ester

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InChI
InChI=1S/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChI Key
LSLWNAOQPPLHSW-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCC(C)OC(=O)c1ccccc1
Molecular Weight1
178.23
CAS
3306-36-3
Other Names
  • 1-Methylpropyl benzoate
  • Sec-butyl benzoate
Sources

Physical Properties

Property Value Unit Source
Δf -82.21 kJ/mol Joback Calculated Property
Δfgas -283.92 kJ/mol Joback Calculated Property
Δfus 17.55 kJ/mol Joback Calculated Property
Δvap 51.12 kJ/mol Joback Calculated Property
logPoct/wat 2.64 Crippen Calculated Property
Pc 2802.44 kPa Joback Calculated Property
Tboil 553.61 K Joback Calculated Property
Tc 767.42 K Joback Calculated Property
Tfus 297.31 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 346.73 J/mol×K 553.61 Joback Calculated Property
η 0.00 Pa×s 553.61 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
-CH3 2

Similar Compounds

Benzoic acid, 1,2-dimethylpropyl ester. 4-Penten-2-ol, benzoate. n-Propyl benzoate. Benzoic acid, 3,3-dimethylbut-2-yl ester. Benzoic acid, hex-3-yl ester. Benzoic acid, 1-methylethyl ester. Benzoic acid, hex-2-yl ester. Benzoic acid, 2,4-dimethylpent-3-yl ester. Benzoic acid, 4-methylpent-2-yl ester. 4-Methylbenzoic acid, 3-methylbut-2-yl ester. p-Toluic acid, cyclobutyl ester. Benzoic acid, 3-hydroxypropyl ester. 1,3-Butanediol, dibenzoate. Benzoic acid, butyl ester. Benzoic acid, hept-2-yl ester.

Find more compounds similar to Benzoic acid, 1-methylpropyl ester.

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