Chemical Properties of methyl 3,4,5-trimethylbenzoate

methyl 3,4,5-trimethylbenzoate

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InChI
InChI=1S/C11H14O2/c1-7-5-10(11(12)13-4)6-8(2)9(7)3/h5-6H,1-4H3
InChI Key
MMOVUCSZRKTFNP-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
COC(=O)c1cc(C)c(C)c(C)c1
Molecular Weight1
178.23
Sources

Physical Properties

Property Value Unit Source
Δf -108.66 kJ/mol Joback Calculated Property
Δfgas -313.05 kJ/mol Joback Calculated Property
Δfus 19.91 kJ/mol Joback Calculated Property
Δvap 53.50 kJ/mol Joback Calculated Property
logPoct/wat 2.40 Crippen Calculated Property
Pc 2651.56 kPa Joback Calculated Property
Tboil 568.99 K Joback Calculated Property
Tc 781.39 K Joback Calculated Property
Tfus 349.87 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 345.39 J/mol×K 568.99 Joback Calculated Property
η 0.00 Pa×s 568.99 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3,4-(CH3)3-C6H3-CO2CH3. Benzoic acid, 3,4-dimethyl-, ethyl ester. 2-Methoxyethyl 3,4-dimethylbenzoate. 3,5-(CH3)2-C6H3-COOCH3. Benzoic acid, 3,4-dimethyl-. Butyl 3,4-dimethylbenzoate. Benzoic acid, 3-methyl-, methyl ester. Hexyl 3,4-dimethylbenzoate. Ethyl m-methylbenzoate. 1,3,5-Benzenetricarboxylic acid, trimethyl ester. 1,3-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester. 1,3-Benzenedicarboxylic acid, dimethyl ester. 1,3-Benzenedicarboxylic acid, monomethyl ester. Benzoic acid, 2,5-dimethyl-, methyl ester. 1-Methyl-2-methoxyethyl 3,4-dimethylbenzoate.

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