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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.94	kJ/mol	3,4,5-Trimethoxyphenol: A combined experimental and theoretical thermochemical investigation of its antioxidant capacity
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	1.418		Crippen Calculated Property
McVol	137.390	ml/mol	McGowan Calculated Property
Inp	[1599.00; 1614.00]
Inp	1599.00		NIST
Inp	1614.00		NIST
Inp	1614.00		NIST
I	[3026.00; 3065.00]
I	3049.00		NIST
I	3044.00		NIST
I	3049.00		NIST
I	3060.00		NIST
I	3060.00		NIST
I	3065.00		NIST
I	Outlier 3026.00		NIST
I	3060.00		NIST
Tboil	565.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.93; 396.80]	J/mol×K	[590.04; 806.70]
Cp,gas	334.93	J/mol×K	590.04	Joback Calculated Property
Cp,gas	346.58	J/mol×K	626.15	Joback Calculated Property
Cp,gas	357.67	J/mol×K	662.26	Joback Calculated Property
Cp,gas	368.23	J/mol×K	698.37	Joback Calculated Property
Cp,gas	378.27	J/mol×K	734.48	Joback Calculated Property
Cp,gas	387.78	J/mol×K	770.59	Joback Calculated Property
Cp,gas	396.80	J/mol×K	806.70	Joback Calculated Property
η	[0.0000238; 0.0003535]	Pa×s	[421.06; 590.04]
η	0.0003535	Pa×s	421.06	Joback Calculated Property
η	0.0001958	Pa×s	449.22	Joback Calculated Property
η	0.0001163	Pa×s	477.39	Joback Calculated Property
η	0.0000732	Pa×s	505.55	Joback Calculated Property
η	0.0000484	Pa×s	533.71	Joback Calculated Property
η	0.0000333	Pa×s	561.88	Joback Calculated Property
η	0.0000238	Pa×s	590.04	Joback Calculated Property
ΔfusH	31.94	kJ/mol	420.20	NIST

Similar Compounds

Find more compounds similar to Phenol, 3,4,5-trimethoxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• 3,4,5-Trimethoxyphenol: A combined experimental and theoretical thermochemical investigation of its antioxidant capacity
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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