Chemical Properties of Methyl 3-methoxy-4-methylbenzoate (CAS 3556-83-0)

Methyl 3-methoxy-4-methylbenzoate

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InChI
InChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)6-9(7)12-2/h4-6H,1-3H3
InChI Key
LLEXCSBUSVRBCA-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
COC(=O)c1ccc(C)c(OC)c1
Molecular Weight1
180.20
CAS
3556-83-0
Other Names
  • 3-methoxy-4-methylbenzoesaeuremethylester
  • Benzoic acid, 3-methoxy-4-methyl-, methyl ester
  • Benzoic acid, 4-methyl-3-methoxy, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -212.45 kJ/mol Joback Calculated Property
Δfgas -413.16 kJ/mol Joback Calculated Property
Δfus 18.89 kJ/mol Joback Calculated Property
Δvap 53.02 kJ/mol Joback Calculated Property
logPoct/wat 1.79 Crippen Calculated Property
Pc 2928.17 kPa Joback Calculated Property
Tboil 563.55 K Joback Calculated Property
Tc 776.08 K Joback Calculated Property
Tfus 348.31 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 323.48 J/mol×K 563.55 Joback Calculated Property
η 0.00 Pa×s 563.55 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 3-methoxy-4-methyl-. Benzene-1,4-dicarboxylic acid, 2-methoxy, dimethyl ester. 3-CH3O-C6H4-COOCH3. Ethyl-3-methoxybenzoate. Benzoic acid, 3-ethoxy-, methyl ester. Benzoic acid, 3-methoxy-, isopropyl ester. Benzoic acid, 3,5-dimethoxy-, methyl ester. Benzoic acid, 3-methoxy-, propyl ester. Benzoic acid, 3-ethyloxy-, ethyl ester. Benzoic acid, 3-propyloxy-, methyl ester. Benzoic acid, 3-(isopropyl)oxy-, methyl ester. 1,3-Benzenedicarboxylic acid, 5-methoxy, dimethyl ester. M-anisic acid, 3-methylbut-2-enyl ester. Methyl 3-trifluoromethoxybenzoate. Methyl 3-acetyloxybenzoate.

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