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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-351.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-589.47	kJ/mol	Joback Calculated Property
ΔfusH°	31.94	kJ/mol	3,4,5-T...
ΔvapH°	59.47	kJ/mol	Joback Calculated Property
log10WS	-1.38		Crippen Calculated Property
logPoct/wat	1.418		Crippen Calculated Property
McVol	137.390	ml/mol	McGowan Calculated Property
Pc	3530.46	kPa	Joback Calculated Property
Inp	[1599.00; 1614.00]
Inp	1599.00		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	589.84	K	Joback Calculated Property
Tc	806.43	K	Joback Calculated Property
Tfus	421.06	K	Joback Calculated Property
Vc	0.452	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.87; 396.73]	J/mol×K	[589.84; 806.43]
Cp,gas	334.87	J/mol×K	589.84	Joback Calculated Property
Cp,gas	346.51	J/mol×K	625.94	Joback Calculated Property
Cp,gas	357.61	J/mol×K	662.04	Joback Calculated Property
Cp,gas	368.17	J/mol×K	698.13	Joback Calculated Property
Cp,gas	378.20	J/mol×K	734.23	Joback Calculated Property
Cp,gas	387.72	J/mol×K	770.33	Joback Calculated Property
Cp,gas	396.73	J/mol×K	806.43	Joback Calculated Property
η	[0.0000238; 0.0003535]	Pa×s	[421.06; 589.84]
η	0.0003535	Pa×s	421.06	Joback Calculated Property
η	0.0001959	Pa×s	449.19	Joback Calculated Property
η	0.0001164	Pa×s	477.32	Joback Calculated Property
η	0.0000733	Pa×s	505.45	Joback Calculated Property
η	0.0000485	Pa×s	533.58	Joback Calculated Property
η	0.0000334	Pa×s	561.71	Joback Calculated Property
η	0.0000238	Pa×s	589.84	Joback Calculated Property
ΔfusH	31.94	kJ/mol	420.20	NIST

Similar Compounds

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

Sources

• 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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.