Chemical Properties of Benzene, 1,3,5-trimethoxy- (CAS 621-23-8)

Benzene, 1,3,5-trimethoxy-

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InChI
InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChI Key
LKUDPHPHKOZXCD-UHFFFAOYSA-N
Formula
C9H12O3
SMILES
COc1cc(OC)cc(OC)c1
Molecular Weight1
168.19
CAS
621-23-8
Other Names
  • 1,3,5-Trimethoxybenzene
  • 1,3,5-Trimethyoxybenzene
  • O,O,O-1,3,5-trimethylresorcinol
  • Phloroglucinol trimethyl ether
Sources

Physical Properties

Property Value Unit Source
PAff 926.70 kJ/mol NIST
BasG 898.20 kJ/mol NIST
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 100.60 ± 1.90 kJ/mol NIST
Δvap 68.20 ± 2.00 kJ/mol NIST
IE 7.96 eV NIST
logPoct/wat 1.712 Crippen Calculated Property
Pc 2979.54 kPa Joback Calculated Property
Tboil 528.70 K NIST
Tc 714.26 K Joback Calculated Property
Tfus 309.34 K Joback Calculated Property
Vc 0.485 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 0.0001357 Pa×s 509.22 Joback Calculated Property
ΔsubH 116.00 ± 1.90 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, 3,5-dimethoxy-. Benzene, 1,3-dimethoxy-. Flamenol. 3-Methoxyphenol. 1-Ethoxy-3-methoxybenzene. 1,3-Diethoxybenzene. 3-Ethoxyphenol. Phenol, 2,6-dimethoxy-. 1,4-Benzenediol, 2-methoxy-. 2,4-Dimethoxyphenol. 1,2-Benzenediol, 3-methoxy-. Benzene, methoxy-. 2,6-Dimethoxy hydroquinone. 1,2,3-Trimethoxybenzene. 1,2,4-Trimethoxybenzene.

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