Chemical Properties of Benzoic acid, 2,5-dimethyl-, methyl ester (CAS 13730-55-7)

Benzoic acid, 2,5-dimethyl-, methyl ester

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InChI
InChI=1S/C10H12O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,1-3H3
InChI Key
YILVOENZHZWHHK-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
COC(=O)c1cc(C)ccc1C
Molecular Weight1
164.20
CAS
13730-55-7
Other Names
  • 2,5-(CH3)2-C6H3-COOCH3
  • Methyl 2,5-dimethylbenzoate
Sources

Physical Properties

Property Value Unit Source
PAff 864.70 kJ/mol NIST
BasG 833.70 kJ/mol NIST
Δf -107.45 kJ/mol Joback Calculated Property
Δfgas -280.94 kJ/mol Joback Calculated Property
Δfus 17.71 kJ/mol Joback Calculated Property
Δvap 50.61 kJ/mol Joback Calculated Property
logPoct/wat 2.09 Crippen Calculated Property
Pc 2982.79 kPa Joback Calculated Property
Tboil 541.13 K Joback Calculated Property
Tc 756.04 K Joback Calculated Property
Tfus 326.08 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 299.97 J/mol×K 541.13 Joback Calculated Property
η 0.00 Pa×s 541.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 3
>C=O (nonring) 1
-CH3 3
=CH- (ring) 3

Similar Compounds

2,3,5,6-(CH3)4-C6H-COOCH3. 1,3-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester. 2,3-(CH3)2-C6H3-COOCH3. 2,4-(CH3)2-C6H3-COOCH3. 1,2-Benzenedicarboxylic acid, 4-methyl-, dimethyl ester. Benzoic acid, 2-methyl-, methyl ester. Benzoic acid, 2,5-dimethyl-. 2,6-(CH3)2-C6H3-COOCH3. Dimethyl pyromellitate. Benzoic acid, 2,4,6-trimethyl-, methyl ester. 1,2,4,5-Benzenetetracarboxylic acid, tetramethyl ester. 1,2,4-Benzenetricarboxylic acid, trimethyl ester. Ethyl 2,4-dimethylbenzoate. Benzoic acid, 2,4,5-trimethyl-. 3,4-(CH3)3-C6H3-CO2CH3.

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