Chemical Properties of 3,4-Dimethoxybenzoyl chloride (CAS 3535-37-3)

InChI

InChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3

InChI Key

VIOBGCWEHLRBEP-UHFFFAOYSA-N

Formula

C9H9ClO3

SMILES

COc1ccc(C(=O)Cl)cc1OC

Molecular Weight¹

200.62

CAS

3535-37-3

Other Names

• Benzoyl chloride, 3,4-dimethoxy-
• veratroyl 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).
• I_np : Non-polar retention indices.
• 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, 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	[189.39; 393.33]	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			6.06500e+01
Coefficient B			5.13340e-01
Coefficient C			-1.42620e-04
Coefficient D			-3.80400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.39	J/mol×K	273.00	Calculated Property
Cp,gas	222.72	J/mol×K	353.78	Calculated Property
Cp,gas	253.67	J/mol×K	434.56	Calculated Property
Cp,gas	282.11	J/mol×K	515.33	Calculated Property
Cp,gas	307.92	J/mol×K	596.11	Calculated Property
Cp,gas	330.98	J/mol×K	676.89	Calculated Property
Cp,gas	351.17	J/mol×K	757.67	Calculated Property
Cp,gas	368.38	J/mol×K	838.44	Calculated Property
Cp,gas	382.47	J/mol×K	919.22	Calculated Property
Cp,gas	393.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010339; 0.0002006]	Pa×s	[366.96; 559.16]	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			-1.16446e+01
Coefficient B			1.75047e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			366.96
Temperature range, max.			559.16
η	0.0010339	Pa×s	366.96	Calculated Property
η	0.0007954	Pa×s	388.32	Calculated Property
η	0.0006288	Pa×s	409.67	Calculated Property
η	0.0005088	Pa×s	431.03	Calculated Property
η	0.0004201	Pa×s	452.38	Calculated Property
η	0.0003528	Pa×s	473.74	Calculated Property
η	0.0003008	Pa×s	495.09	Calculated Property
η	0.0002599	Pa×s	516.45	Calculated Property
η	0.0002272	Pa×s	537.80	Calculated Property
η	0.0002006	Pa×s	559.16	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethoxybenzoyl 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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