Chemical Properties of 3,4,5-Trimethoxybenzoyl chloride (CAS 4521-61-3)

InChI

InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3

InChI Key

BUHYMJLFRZAFBF-UHFFFAOYSA-N

Formula

C10H11ClO4

SMILES

COc1cc(C(=O)Cl)cc(OC)c1OC

Molecular Weight¹

230.65

CAS

4521-61-3

Other Names

• Benzoyl chloride, 3,4,5-trimethoxy-
• Tri-O-methylgalloyl chloride
• Trimethylgalloyl chloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_boilr : Boiling point at reduced pressure (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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.56; 460.38]	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			9.95400e+01
Coefficient B			4.85660e-01
Coefficient C			-1.89800e-05
Coefficient D			-1.05840e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.56	J/mol×K	273.00	Calculated Property
Cp,gas	264.29	J/mol×K	353.78	Calculated Property
Cp,gas	298.32	J/mol×K	434.56	Calculated Property
Cp,gas	330.29	J/mol×K	515.33	Calculated Property
Cp,gas	359.88	J/mol×K	596.11	Calculated Property
Cp,gas	386.76	J/mol×K	676.89	Calculated Property
Cp,gas	410.58	J/mol×K	757.67	Calculated Property
Cp,gas	431.01	J/mol×K	838.44	Calculated Property
Cp,gas	447.72	J/mol×K	919.22	Calculated Property
Cp,gas	460.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006375; 0.0001581]	Pa×s	[412.98; 590.50]	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			-1.19961e+01
Coefficient B			1.91546e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			412.98
Temperature range, max.			590.50
η	0.0006375	Pa×s	412.98	Calculated Property
η	0.0005160	Pa×s	432.70	Calculated Property
η	0.0004254	Pa×s	452.43	Calculated Property
η	0.0003565	Pa×s	472.15	Calculated Property
η	0.0003030	Pa×s	491.88	Calculated Property
η	0.0002607	Pa×s	511.60	Calculated Property
η	0.0002269	Pa×s	531.33	Calculated Property
η	0.0001994	Pa×s	551.05	Calculated Property
η	0.0001768	Pa×s	570.77	Calculated Property
η	0.0001581	Pa×s	590.50	Calculated Property

Similar Compounds

Find more compounds similar to 3,4,5-Trimethoxybenzoyl 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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