Chemical Properties of 3,4,5-Trimethoxybenzyl chloride

InChI

InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3

InChI Key

XXRUQNNAKXZSOS-UHFFFAOYSA-N

Formula

C10H13ClO3

SMILES

COc1cc(CCl)cc(OC)c1OC

Molecular Weight¹

216.66

Other Names

• 5-(chloromethyl)-1,2,3-trimethoxybenzene
• Benzene, 5-(chloromethyl)-1,2,3-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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.63; 471.36]	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			9.21810e+01
Coefficient B			5.13660e-01
Coefficient C			-3.76800e-05
Coefficient D			-9.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.63	J/mol×K	273.00	Calculated Property
Cp,gas	264.90	J/mol×K	353.78	Calculated Property
Cp,gas	300.34	J/mol×K	434.56	Calculated Property
Cp,gas	333.63	J/mol×K	515.33	Calculated Property
Cp,gas	364.49	J/mol×K	596.11	Calculated Property
Cp,gas	392.59	J/mol×K	676.89	Calculated Property
Cp,gas	417.63	J/mol×K	757.67	Calculated Property
Cp,gas	439.31	J/mol×K	838.44	Calculated Property
Cp,gas	457.32	J/mol×K	919.22	Calculated Property
Cp,gas	471.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006690; 0.0001420]	Pa×s	[363.05; 547.68]	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			-1.19077e+01
Coefficient B			1.66927e+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.			363.05
Temperature range, max.			547.68
η	0.0006690	Pa×s	363.05	Calculated Property
η	0.0005231	Pa×s	383.56	Calculated Property
η	0.0004194	Pa×s	404.08	Calculated Property
η	0.0003435	Pa×s	424.59	Calculated Property
η	0.0002866	Pa×s	445.11	Calculated Property
η	0.0002430	Pa×s	465.62	Calculated Property
η	0.0002089	Pa×s	486.13	Calculated Property
η	0.0001817	Pa×s	506.65	Calculated Property
η	0.0001599	Pa×s	527.16	Calculated Property
η	0.0001420	Pa×s	547.68	Calculated Property

Similar Compounds

Find more compounds similar to 3,4,5-Trimethoxybenzyl chloride.

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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