Chemical Properties of Methyl 2,6-dihydroxy-4-methylbenzoate (CAS 16846-10-9)

Methyl 2,6-dihydroxy-4-methylbenzoate

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InChI
InChI=1S/C9H10O4/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4,10-11H,1-2H3
InChI Key
RIJMQNGJNNAAQK-UHFFFAOYSA-N
Formula
C9H10O4
SMILES
COC(=O)c1c(O)cc(C)cc1O
Molecular Weight1
182.17
CAS
16846-10-9
Other Names
  • Benzoic acid, 2,6-dihydroxy-4-methyl-, methyl ester
  • Resorcylic acid,«gamma», 4-methyl-,methyl ester
  • methyl 2,6-dihydroxy-p-toluate
Sources

Physical Properties

Property Value Unit Source
Δf -415.48 kJ/mol Joback Calculated Property
Δfgas -603.45 kJ/mol Joback Calculated Property
Δfus 27.07 kJ/mol Joback Calculated Property
Δvap 73.75 kJ/mol Joback Calculated Property
logPoct/wat 1.19 Crippen Calculated Property
Pc 4945.39 kPa Joback Calculated Property
Tboil 674.51 K Joback Calculated Property
Tc 912.02 K Joback Calculated Property
Tfus 525.73 K Joback Calculated Property
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 344.94 J/mol×K 674.51 Joback Calculated Property
η 0.00 Pa×s 674.51 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2,6-dihydroxy-, methyl ester. 1,4-Benzenedicarboxylic acid, 2-hydroxy-, 1,4-dimethyl ester. Methyl 2,4,6-trihydroxybenzoate. 2-Hydroxy-4-methylbenzoic acid. Benzoic acid, 2-hydroxy-, methyl ester. Benzoic acid, 2,5-dihydroxy-, methyl ester. Verimol K. Methyl 2,4-dihydroxybenzoate. Benzoic acid, 2-hydroxy-, ethyl ester. Benzoic acid, 2,3-dihydroxy-, methyl ester. Benzoic acid, 2-hydroxy-, 2-propenyl ester. Benzoic acid, 2-hydroxy-, 1-methylethyl ester. Methyl 2-hydroxy-6-methoxybenzoate. Benzoic acid, 2,6-dihydroxy-. Benzoic acid, 2,6-dimethoxy-, methyl ester.

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