Chemical Properties of ethyl 2,4-dihydroxy-3,6-dimethylbenzoate (CAS 31581-32-5)

ethyl 2,4-dihydroxy-3,6-dimethylbenzoate

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InChI
InChI=1S/C11H14O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h5,12-13H,4H2,1-3H3
InChI Key
VJLLNFDLMWPNBN-UHFFFAOYSA-N
Formula
C11H14O4
SMILES
CCOC(=O)c1c(C)cc(O)c(C)c1O
Molecular Weight1
210.23
CAS
31581-32-5
Sources

Physical Properties

Property Value Unit Source
Δf -408.27 kJ/mol Joback Calculated Property
Δfgas -656.20 kJ/mol Joback Calculated Property
Δfus 31.86 kJ/mol Joback Calculated Property
Δvap 78.86 kJ/mol Joback Calculated Property
logPoct/wat 1.891 Crippen Calculated Property
Pc 3768.41 kPa Joback Calculated Property
Tboil 725.25 K Joback Calculated Property
Tc 954.55 K Joback Calculated Property
Tfus 560.79 K Joback Calculated Property
Vc 0.499 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 441.87 J/mol×K 725.25 Joback Calculated Property
η 0.0000013 Pa×s 725.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 3
=CH- (ring) 1
=C< (ring) 5
-CH2- 1
>C=O (nonring) 1
-OH (phenol) 2

Similar Compounds

Ethyl hematommate. Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester. Isopropyl 3-formyl-2,4-dihydroxy-6-methylbenzoate. Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, methyl ester. Ethyl 2,4-dihydroxy-6-methylbenzoate. Propyl 2,4-dihydroxy-6-methylbenzoate. Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester. ethyl 4-methoxy-6-methylsalicylate. Benzoic acid, 2,4-dihydroxy-6-methyl-, methyl ester. Propyl 2-hydroxy-4-methoxy-6-methylbenzoate. Ethyl chloroatrarate. Butyl everninate. Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester. Ethyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate. Isopropyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate.

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