Chemical Properties of Benzaldehyde, 2-chloro-4-hydroxy-3,5-dimethoxy- (CAS 76341-69-0)

InChI

InChI=1S/C9H9ClO4/c1-13-6-3-5(4-11)7(10)9(14-2)8(6)12/h3-4,12H,1-2H3

InChI Key

GRIHRCLOUQZXPD-UHFFFAOYSA-N

Formula

C9H4Cl8O

SMILES

COc1cc(C=O)c(Cl)c(OC)c1O

Molecular Weight¹

411.75

CAS

76341-69-0

Other Names

• 1,3,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran

• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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, Ionization energy 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.81; 414.47]	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			7.00700e+01
Coefficient B			6.10940e-01
Coefficient C			-3.43640e-04
Coefficient D			7.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.81	J/mol×K	273.00	Calculated Property
Cp,gas	246.61	J/mol×K	353.78	Calculated Property
Cp,gas	276.99	J/mol×K	434.56	Calculated Property
Cp,gas	304.20	J/mol×K	515.33	Calculated Property
Cp,gas	328.48	J/mol×K	596.11	Calculated Property
Cp,gas	350.07	J/mol×K	676.89	Calculated Property
Cp,gas	369.22	J/mol×K	757.67	Calculated Property
Cp,gas	386.18	J/mol×K	838.44	Calculated Property
Cp,gas	401.18	J/mol×K	919.22	Calculated Property
Cp,gas	414.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002222; 0.0000336]	Pa×s	[483.27; 619.19]	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			-1.70169e+01
Coefficient B			4.15843e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			483.27
Temperature range, max.			619.19
η	0.0002222	Pa×s	483.27	Calculated Property
η	0.0001712	Pa×s	498.37	Calculated Property
η	0.0001339	Pa×s	513.47	Calculated Property
η	0.0001063	Pa×s	528.58	Calculated Property
η	0.0000854	Pa×s	543.68	Calculated Property
η	0.0000695	Pa×s	558.78	Calculated Property
η	0.0000571	Pa×s	573.88	Calculated Property
η	0.0000474	Pa×s	588.98	Calculated Property
η	0.0000397	Pa×s	604.08	Calculated Property
η	0.0000336	Pa×s	619.19	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 2-chloro-4-hydroxy-3,5-dimethoxy-.

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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