Chemical Properties of 4-Tert-butylbenzoic acid methyl ester (CAS 26537-19-9)

4-Tert-butylbenzoic acid methyl ester

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InChI Key
Molecular Weight1
Other Names
  • 4-Tert-butylbenzoic acid methyl ester
  • Benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester
  • Benzoic acid, p-tert-butyl-, methyl ester
  • Methyl p-tert-butylbenzoate

Physical Properties

Property Value Unit Source
PAff 867.10 kJ/mol NIST
BasG 836.20 kJ/mol NIST
Δf -78.14 kJ/mol Joback Calculated Property
Δfgas -319.50 kJ/mol Joback Calculated Property
Δfus 15.86 kJ/mol Joback Calculated Property
Δvap 53.10 kJ/mol Joback Calculated Property
IE 9.38 eV NIST
logPoct/wat 2.77 Crippen Calculated Property
Pc 2527.73 kPa Joback Calculated Property
Tboil 578.68 K Joback Calculated Property
Tc 798.32 K Joback Calculated Property
Tfus 338.52 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 397.08 J/mol×K 578.68 Joback Calculated Property
η 0.00 Pa×s 578.68 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-(1-methylethyl)-, methyl ester. Ethyl 4-t-butylbenzoate. Benzoic acid, p-tert-butyl-. Benzoic acid, 4-ethyl-, methyl ester. Benzoic acid, 4-tert-butyl-, propyl ester. 2-Methoxyethyl 4-tert-butyl benzoate. Benzoic acid, 4-tert-butyl-, isobutyl ester. Benzoic acid, 4-tert-butyl-, butyl ester. Benzoic acid, 4-(1-methylethyl)-. 4-Ethylbenzoic acid, ethyl ester. 4-Isobutylbenzoic acid, methyl. Benzoic acid, 4-tert-butyl-, pentyl ester. Benzoic acid, 4-tert-butyl-, hexyl ester. Benzoic acid, 4-acetyl-, methyl ester. Benzoic acid, 4-tert-butyl-, heptyl ester.

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