Chemical Properties of 2,4,5-TRIMETHOXYBENZOIC ACID (CAS 490-64-2)

2,4,5-TRIMETHOXYBENZOIC ACID

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InChI
InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key
KVZUCOGWKYOPID-UHFFFAOYSA-N
Formula
C10H12O5
SMILES
COc1cc(OC)c(C(=O)O)cc1OC
Molecular Weight1
212.20
CAS
490-64-2
Other Names
  • 2,4,5-Trimethoxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -463.90 kJ/mol Joback Calculated Property
Δfgas -709.08 kJ/mol Joback Calculated Property
Δfus 23.78 kJ/mol Joback Calculated Property
Δvap 72.77 kJ/mol Joback Calculated Property
logPoct/wat 1.41 Crippen Calculated Property
Pc 3127.99 kPa Joback Calculated Property
Tboil 683.13 K Joback Calculated Property
Tc 881.29 K Joback Calculated Property
Tfus 443.88 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 395.28 J/mol×K 683.13 Joback Calculated Property
η 0.00 Pa×s 683.13 Joback Calculated Property
ΔfusH 31.15 kJ/mol 417.9 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 3
=CH- (ring) 2
-OH (alcohol) 1
=C< (ring) 4
>C=O (nonring) 1

Similar Compounds

2,3,4-Trimethoxybenzoic acid. Benzaldehyde, 2,4,5-trimethoxy-. Benzoic acid, 2,5-dimethoxy-. 2,3-DIMETHOXYBENZOIC ACID. Benzoic acid, 2,4-dimethoxy-. BENZOIC ACID, 3,4,5-TRIMETHOXY-. 2,4,6-Trimethoxybenzoic acid. 3-Hydroxy-4,5-dimethoxybenzoic acid. Methyl 3,4,6-trimetoxy-2-methyl-benzoate. Benzoic acid, 4-hydroxy-3,5-dimethoxy-. 2,5-Dimethoxy-4-propoxybenzaldehyde. Benzoic acid, 3,4-dimethoxy-. Benzoic acid, 3,4,5-trimethoxy-, methyl ester. Benzoic acid, 2,4-dimethoxy-, methyl ester. Benzoic acid, 2,3-dimethoxy-, methyl ester.

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