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

4-Tert-butylbenzoic acid methyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChI Key
UPIJOAFHOIWPLT-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
COC(=O)c1ccc(C(C)(C)C)cc1
Molecular Weight1
192.25
CAS
26537-19-9
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
Sources

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.

Find more compounds similar to 4-Tert-butylbenzoic acid methyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.