Chemical Properties of Benzoic acid, 2,4-dimethoxy- (CAS 91-52-1)

Benzoic acid, 2,4-dimethoxy-

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InChI
InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)
InChI Key
GPVDHNVGGIAOQT-UHFFFAOYSA-N
Formula
C9H10O4
SMILES
COc1ccc(C(=O)O)c(OC)c1
Molecular Weight1
182.17
CAS
91-52-1
Other Names
  • 2,4-Dimethoxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4258.60 ± 0.80 kJ/mol NIST
Δf -357.69 kJ/mol Joback Calculated Property
Δfgas -544.75 kJ/mol Joback Calculated Property
Δfsolid -712.20 ± 1.40 kJ/mol NIST
Δfus 20.39 kJ/mol Joback Calculated Property
Δsub 123.40 ± 0.40 kJ/mol NIST
Δsub 123.40 ± 0.40 kJ/mol NIST
Δvap 67.47 kJ/mol Joback Calculated Property
logPoct/wat 1.40 Crippen Calculated Property
Pc 3628.97 kPa Joback Calculated Property
Tboil 632.85 K Joback Calculated Property
Tc 834.15 K Joback Calculated Property
Tfus 380.15 ± 0.30 K NIST
Tfus 380.45 ± 0.20 K NIST
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 324.57 J/mol×K 632.85 Joback Calculated Property
η 0.00 Pa×s 632.85 Joback Calculated Property
ΔsubH 120.50 ± 0.40 kJ/mol 356.5 NIST

Molecular Descriptors

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

Similar Compounds

2,4,6-Trimethoxybenzoic acid. Benzoic acid, 2,4-dimethoxy-, methyl ester. Benzoic acid, 2,6-dimethoxy-. Benzoic acid, 2-methoxy-. Methyl 4-methoxysalicylate. 2,4,5-TRIMETHOXYBENZOIC ACID. 2-Methoxy-5-methylbenzoic acid. Benzaldehyde, 2,4-dimethoxy-. 2,4-Dihydroxybenzoic acid. 2,3,4-Trimethoxybenzoic acid. Benzoic acid, 2-ethoxy-. Benzoic acid, 2,6-dimethoxy-, methyl ester. 2,4-Dimethoxybenzyl alcohol. Methyl 2-hydroxy-6-methoxybenzoate. 2,4,6-Trihydroxybenzoic acid.

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