Chemical Properties of Ethyl p-butoxybenzoate

Ethyl p-butoxybenzoate

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InChI
InChI=1S/C13H18O3/c1-3-5-10-16-12-8-6-11(7-9-12)13(14)15-4-2/h6-9H,3-5,10H2,1-2H3
InChI Key
LMXMLKHKWPCFTG-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
CCCCOc1ccc(C(=O)OCC)cc1
Molecular Weight1
222.28
Sources

Physical Properties

Property Value Unit Source
Δf -177.56 kJ/mol Joback Calculated Property
Δfgas -463.61 kJ/mol Joback Calculated Property
Δfus 27.05 kJ/mol Joback Calculated Property
Δvap 59.04 kJ/mol Joback Calculated Property
logPoct/wat 3.04 Crippen Calculated Property
Pc 2222.89 kPa Joback Calculated Property
Tboil 627.21 K Joback Calculated Property
Tc 829.16 K Joback Calculated Property
Tfus 369.60 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 469.42 J/mol×K 627.21 Joback Calculated Property
η 0.00 Pa×s 627.21 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Propyl p-butoxybenzoate. Benzoic acid, 4-ethoxy-, ethyl ester. Benzoic acid, 4-butyloxy-, butyl ester. Benzoic acid, 4-propyloxy-, propyl ester. Benzoic acid, 4-pentyloxy-, methyl ester. Benzoic acid, 4-(3-methylbutyl)oxy-, methyl ester. Amyl p-butoxybenzoate. Methyl 4-octyloxybenzoate. Benzoic acid, 4-propyloxy-, methyl ester. Benzoic acid, 4-pentyloxy-, pentyl ester. Benzoic acid, 4-(2-methylbutyl)oxy-, methyl ester. Hexyl p-butoxybenzoate. Benzoic acid, 4-(3-methylbutyl)oxy-, 3-methylbutyl ester. Benzoic acid, 4-methoxy-, ethyl ester. Octyl p-butoxybenzoate.

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