Chemical Properties of Benzoic acid, 4-(3-methylbutyl)oxy-, 3-methylbutyl ester

Benzoic acid, 4-(3-methylbutyl)oxy-, 3-methylbutyl ester

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InChI
InChI=1S/C17H26O3/c1-13(2)9-11-19-16-7-5-15(6-8-16)17(18)20-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChI Key
QYQILGUQQBHAHE-UHFFFAOYSA-N
Formula
C17H26O3
SMILES
CC(C)CCOC(=O)c1ccc(OCCC(C)C)cc1
Molecular Weight1
278.39
Sources

Physical Properties

Property Value Unit Source
Δf -148.76 kJ/mol Joback Calculated Property
Δfgas -556.73 kJ/mol Joback Calculated Property
Δfus 30.37 kJ/mol Joback Calculated Property
Δvap 67.16 kJ/mol Joback Calculated Property
logPoct/wat 4.314 Crippen Calculated Property
Pc 1614.17 kPa Joback Calculated Property
Tboil 717.85 K Joback Calculated Property
Tc 917.15 K Joback Calculated Property
Tfus 384.68 K Joback Calculated Property
Vc 0.909 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 684.79 J/mol×K 717.85 Joback Calculated Property
η 0.0000711 Pa×s 717.85 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-butyloxy-, butyl ester. Propyl p-butoxybenzoate. Amyl p-butoxybenzoate. Benzoic acid, 4-pentyloxy-, pentyl ester. Hexyl p-butoxybenzoate. Heptyl p-butoxybenzoate. Octyl p-butoxybenzoate. Benzoic acid, 4-methoxy-, 3-methylbutyl ester. Benzoic acid, 4-propyloxy-, propyl ester. Benzoic acid, 4-(2-methylbutyl)oxy-, 2-methylbutyl ester. Ethyl p-butoxybenzoate. Benzoic acid, 4-methoxy-, butyl ester. Benzoic acid, 4-(2-methylpropyl)oxy-, 2-methylpropyl ester. Amyl anisate. Butyl 4-acetoxybenzoate.

Find more compounds similar to Benzoic acid, 4-(3-methylbutyl)oxy-, 3-methylbutyl ester.

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