Chemical Properties of 1,2,3-Trimethoxybenzene (CAS 634-36-6)

1,2,3-Trimethoxybenzene

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InChI
InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
InChI Key
CRUILBNAQILVHZ-UHFFFAOYSA-N
Formula
C9H12O3
SMILES
COc1cccc(OC)c1OC
Molecular Weight1
168.19
CAS
634-36-6
Other Names
  • 1,2,3-Trimethoxybenzene (methylsyringol)
  • Benzene, 1,2,3-trimethoxy-
  • Methylsyringol
  • Pyrogallol trimethyl ether
  • Tri-O-methylpyrogallol
Sources

Physical Properties

Property Value Unit Source
Δf -196.95 kJ/mol Joback Calculated Property
Δfgas -412.16 kJ/mol Joback Calculated Property
Δfus 15.89 kJ/mol Joback Calculated Property
Δsub 98.00 ± 0.30 kJ/mol NIST
Δvap 46.46 kJ/mol Joback Calculated Property
IE 8.20 ± 0.15 eV NIST
logPoct/wat 1.71 Crippen Calculated Property
Pc 2979.54 kPa Joback Calculated Property
Tboil 514.20 K NIST
Tboil 514.15 ± 1.00 K NIST
Tc 714.26 K Joback Calculated Property
Tfus 309.34 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 285.91 J/mol×K 509.22 Joback Calculated Property
η 0.00 Pa×s 509.22 Joback Calculated Property
ΔsubH 113.40 ± 0.30 kJ/mol 375.0 NIST

Molecular Descriptors

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

Similar Compounds

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

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