Chemical Properties of Benzoic acid, 3-methoxy-, 3-methylbutyl ester (CAS 959013-88-8)

Benzoic acid, 3-methoxy-, 3-methylbutyl ester

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InChI
InChI=1S/C13H18O3/c1-10(2)7-8-16-13(14)11-5-4-6-12(9-11)15-3/h4-6,9-10H,7-8H2,1-3H3
InChI Key
UGYINAIOZICKRA-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
COc1cccc(C(=O)OCCC(C)C)c1
Molecular Weight1
222.28
CAS
959013-88-8
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, 3-methoxy-, butyl ester. M-methoxybenzoic acid, pentyl ester. Benzoic acid, 3-methoxy-, 2-methylbutyl ester. m-Methoxybenzoic acid, hexyl ester. Benzoic acid, 3-methoxy-, propyl ester. Benzoic acid, 3-methoxy-, heptyl ester. Benzoic acid, 3-methoxy-, decyl ester. M-anisic acid, heptadecyl ester. Benzoic acid, 3-methoxy-, tridecyl ester. Benzoic acid, 3-methoxy-, nonyl ester. m-Methoxybenzoic acid, hexadecyl ester. M-methoxybenzoic acid, octadecyl ester. m-Methoxybenzoic acid, tetradecyl ester. M-methoxybenzoic acid, octyl ester. Benzoic acid, 3-methoxy-, undecyl ester.

Find more compounds similar to Benzoic acid, 3-methoxy-, 3-methylbutyl ester.

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