Chemical Properties of 2,3,4-Trimethoxybenzyl alcohol (CAS 71989-96-3)

InChI

InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3

InChI Key

DGJVVEVPKPOLEV-UHFFFAOYSA-N

Formula

C10H14O4

SMILES

COc1ccc(CO)c(OC)c1OC

Molecular Weight¹

198.22

CAS

71989-96-3

Other Names

• Benzenemethanol, 2,3,4-trimethoxy-
• Benzyl alcohol, 2,3,4-trimethoxy-

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.73; 481.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.45810e+01
Coefficient B			5.40860e-01
Coefficient C			-4.76800e-05
Coefficient D			-9.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.73	J/mol×K	273.00	Calculated Property
Cp,gas	265.71	J/mol×K	353.78	Calculated Property
Cp,gas	302.73	J/mol×K	434.56	Calculated Property
Cp,gas	337.50	J/mol×K	515.33	Calculated Property
Cp,gas	369.72	J/mol×K	596.11	Calculated Property
Cp,gas	399.06	J/mol×K	676.89	Calculated Property
Cp,gas	425.25	J/mol×K	757.67	Calculated Property
Cp,gas	447.96	J/mol×K	838.44	Calculated Property
Cp,gas	466.90	J/mol×K	919.22	Calculated Property
Cp,gas	481.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008483; 0.0000651]	Pa×s	[393.95; 574.48]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.52396e+01
Coefficient B			3.21754e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			393.95
Temperature range, max.			574.48
η	0.0008483	Pa×s	393.95	Calculated Property
η	0.0005711	Pa×s	414.01	Calculated Property
η	0.0003988	Pa×s	434.07	Calculated Property
η	0.0002874	Pa×s	454.13	Calculated Property
η	0.0002130	Pa×s	474.19	Calculated Property
η	0.0001617	Pa×s	494.25	Calculated Property
η	0.0001255	Pa×s	514.31	Calculated Property
η	0.0000992	Pa×s	534.36	Calculated Property
η	0.0000798	Pa×s	554.42	Calculated Property
η	0.0000651	Pa×s	574.48	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trimethoxybenzyl alcohol.

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
• Joback Method
• McGowan Method
• NIST Webbook

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