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

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

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InChI
InChI=1S/C13H18O3/c1-10(2)8-9-16-12-6-4-11(5-7-12)13(14)15-3/h4-7,10H,8-9H2,1-3H3
InChI Key
ULKCRLYLWOPDGY-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
COC(=O)c1ccc(OCCC(C)C)cc1
Molecular Weight1
222.28
Sources

Physical Properties

Property Value Unit Source
Δf -180.00 kJ/mol Joback Calculated Property
Δfgas -468.89 kJ/mol Joback Calculated Property
Δfus 23.53 kJ/mol Joback Calculated Property
Δvap 58.65 kJ/mol Joback Calculated Property
logPoct/wat 2.90 Crippen Calculated Property
Pc 2239.76 kPa Joback Calculated Property
Tboil 626.77 K Joback Calculated Property
Tc 832.59 K Joback Calculated Property
Tfus 354.60 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 469.86 J/mol×K 626.77 Joback Calculated Property
η 0.00 Pa×s 626.77 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-pentyloxy-, methyl ester. Benzoic acid, 4-(2-methylbutyl)oxy-, methyl ester. Benzoic acid, 4-propyloxy-, methyl ester. Methyl 4-octyloxybenzoate. Ethyl p-butoxybenzoate. Benzoic acid, 4-(2-methylpropyl)oxy-, methyl ester. Benzoic acid, 4-(neopentyl)oxy-, methyl ester. Benzoic acid, 4-(1-methylpropyl)oxy-, methyl ester. Benzoic acid, 4-(isopropyl)oxy-, methyl ester. Propyl p-butoxybenzoate. 4-n-Butoxybenzoic acid. Benzoic acid, 4-(3-methylbutyl)oxy-, 3-methylbutyl ester. 4-Pentyloxybenzoic acid. Benzoic acid, 4-butyloxy-, butyl ester. 4-(Hexyloxy)benzoic acid.

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

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