Chemical Properties of Benzoic acid, 2-(3-methylbutyl)oxy-, methyl ester

Benzoic acid, 2-(3-methylbutyl)oxy-, methyl ester

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

InChI
InChI=1S/C13H18O3/c1-10(2)8-9-16-12-7-5-4-6-11(12)13(14)15-3/h4-7,10H,8-9H2,1-3H3
InChI Key
JFRUBHZIJGECNM-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
COC(=O)c1ccccc1OCCC(C)C
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
>CH- 1
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
-CH3 3

Similar Compounds

Benzoic acid, 2-(2-methylbutyl)oxy-, methyl ester. Benzoic acid, 2-propyloxy-, methyl ester. Benzoic acid, 2-(2-methylpropyl)oxy-, methyl ester. Methyl 2-ethoxybenzoate. Benzoic acid, 2-(1-methylpropyl)oxy-, methyl ester. Salicylic acid, 3-methylbutyl ether, 3-methylbutyl ester. Salicylic acid, butyl ether, butyl ester. Benzoic acid, 2-(isopropyl)oxy-, methyl ester. Salicylic acid, propyl ether, propyl ester. Salicylic acid, pentyl ether, pentyl ester. Salicylic acid, ethyl ether, ethyl ester. Salicylic acid, 2-methylpropyl ether, 2-methylpropyl ester. Salicylic acid, 2-methylbutyl ether, 2-methylbutyl ester. Salicylic acid, isopropyl ether, isopropyl ester. Aspirin methyl ester.

Find more compounds similar to Benzoic acid, 2-(3-methylbutyl)oxy-, 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.