Chemical Properties of Ethyl 4-t-butylbenzoate (CAS 5406-57-5)

Ethyl 4-t-butylbenzoate

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InChI
InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3
InChI Key
LIQWHXBLFOERRD-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCOC(=O)c1ccc(C(C)(C)C)cc1
Molecular Weight1
206.28
CAS
5406-57-5
Other Names
  • Benzoic acid, 4-(1,1-dimethylethyl)-, ethyl ester
  • Ethyl 4-tert-butylbenzoate
  • ethyl 4-(1,1-dimethylethyl)benzoate
Sources

Physical Properties

Property Value Unit Source
Δf -69.72 kJ/mol Joback Calculated Property
Δfgas -340.14 kJ/mol Joback Calculated Property
Δfus 18.45 kJ/mol Joback Calculated Property
Δvap 55.33 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 2300.32 kPa Joback Calculated Property
Tboil 601.56 K Joback Calculated Property
Tc 817.36 K Joback Calculated Property
Tfus 349.79 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 446.22 J/mol×K 601.56 Joback Calculated Property
η 0.00 Pa×s 601.56 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-tert-butyl-, propyl ester. 4-Tert-butylbenzoic acid methyl ester. 2-Methoxyethyl 4-tert-butyl benzoate. Benzoic acid, 4-tert-butyl-, isobutyl ester. Benzoic acid, 4-tert-butyl-, butyl ester. 4-Ethylbenzoic acid, ethyl ester. Benzoic acid, 4-(1-methylethyl)-, methyl ester. Benzoic acid, 4-tert-butyl-, pentyl ester. Benzoic acid, 4-tert-butyl-, hexyl ester. Benzoic acid, 4-tert-butyl-, heptyl ester. Benzoic acid, 4-tert-butyl-, undecyl ester. Benzoic acid, 4-tert-butyl-, dodecyl ester. Benzoic acid, 4-tert-butyl-, decyl ester. Benzoic acid, 4-tert-butyl-, tridecyl ester. Benzoic acid, 4-tert-butyl-, heptadecyl ester.

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