Chemical Properties of Phenol, 3,4,5-trimethoxy- (CAS 642-71-7)

Phenol, 3,4,5-trimethoxy-

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InChI
InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3
InChI Key
VTCDZPUMZAZMSB-UHFFFAOYSA-N
Formula
C9H12O4
SMILES
COc1cc(O)cc(OC)c1OC
Molecular Weight1
184.19
CAS
642-71-7
Other Names
  • 3,4,5-Trimethoxyphenol
  • Antiarol
Sources

Physical Properties

Property Value Unit Source
Δf -351.57 kJ/mol Joback Calculated Property
Δfgas -589.47 kJ/mol Joback Calculated Property
Δfus 21.68 kJ/mol Joback Calculated Property
Δvap 59.47 kJ/mol Joback Calculated Property
logPoct/wat 1.42 Crippen Calculated Property
Pc 3530.46 kPa Joback Calculated Property
Tboil 589.84 K Joback Calculated Property
Tc 806.43 K Joback Calculated Property
Tfus 421.06 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 334.87 J/mol×K 589.84 Joback Calculated Property
η 0.00 Pa×s 589.84 Joback Calculated Property
ΔfusH 31.94 kJ/mol 420.2 NIST

Molecular Descriptors

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

Similar Compounds

1,2,3,4-Tetramethoxybenzene. 1,2,4-Trimethoxybenzene. 2,6-Dimethoxy hydroquinone. Phenol, 3,4-dimethoxy-. 1,2,3-Trimethoxybenzene. 2,4-Dimethoxyphenol. Phenol, 2,6-dimethoxy-. 1,4-Benzenediol, 2-methoxy-. 1,2-Benzenediol, 3-methoxy-. Formic acid, 2,6-dimethoxyphenyl ester. Benzene, 2-ethoxy-1,3-dimethoxy-. 2-Methoxyresorcinol. 1,3-Benzodioxol-5-ol. cis-propenylsyringol. 4-(1-Propenyl)-2,6-dimethoxyphenol (trans-propenylsyringol).

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