Chemical Properties of Benzaldehyde, 3,4-dimethoxy- (CAS 120-14-9)

Benzaldehyde, 3,4-dimethoxy-

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InChI
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
InChI Key
WJUFSDZVCOTFON-UHFFFAOYSA-N
Formula
C9H10O3
SMILES
COc1ccc(C=O)cc1OC
Molecular Weight1
166.17
CAS
120-14-9
Other Names
  • 3,4-Dimethoxybenzaldehyde
  • 3,4-Dimethoxybenzenecarbonal
  • 4-O-Methylvanillin
  • Benzaldehyde, 3,4-dimethoxy-veratraldehyde
  • Methylvanillin
  • NSC 24521
  • Protocatechualdehyde dimethyl ether
  • Protocatechuecaldehyde dimethyl ether
  • Protocatechuic aldehyde dimethyl ether
  • Vanillin methyl ether
  • Veratral
  • Veratraldehyde
  • Veratric aldehyde
  • Veratrum aldehyde
  • Veratryl aldehyde
  • p-Veratric aldehyde
Sources

Physical Properties

Property Value Unit Source
Δf -191.47 kJ/mol Joback Calculated Property
Δfgas -365.52 kJ/mol Joback Calculated Property
Δfus 16.99 kJ/mol Joback Calculated Property
Δvap 50.77 kJ/mol Joback Calculated Property
logPoct/wat 1.52 Crippen Calculated Property
Pc 3299.15 kPa Joback Calculated Property
Tboil 554.20 K NIST
Tboil 446.70 K NIST
Tc 746.40 K Joback Calculated Property
Tfus 329.11 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 279.82 J/mol×K 535.46 Joback Calculated Property
η 0.00 Pa×s 535.46 Joback Calculated Property
ΔfusH 20.30 kJ/mol 317.0 NIST

Molecular Descriptors

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

Similar Compounds

Benzaldehyde, 4-hydroxy-3-methoxy-. Benzaldehyde, 3-hydroxy-4-methoxy-. 4-Ethoxy-3-anisaldehyde. 3,4-Dimethoxy-5-hydroxybenzaldehyde. Benzaldehyde, 3,4,5-trimethoxy-. 3,4-Diethoxybenzaldehyde. 3,4-Dihydroxy-5-methoxybenzaldehyde. Benzaldehyde, 4-hydroxy-3,5-dimethoxy-. 3-ETHOXY-4-HYDROXYBENZALDEHYDE. Piperonal. Benzene, 1,2-dimethoxy-4-methyl-. 1,4-Benzodioxan-6-carboxaldehyde. Benzoic acid, 3,4-dimethoxy-. Ethanone, 1-(3,4-dimethoxyphenyl)-. Phenol, 2-methoxy-4-methyl-.

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