Chemical Properties of 2,3,6-TRICHLOROBENZALDEHYDE

InChI

InChI=1S/C7H3Cl3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H

InChI Key

AURSMWWOMOVHBM-UHFFFAOYSA-N

Formula

C7H3Cl3O

SMILES

O=Cc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

209.46

Other Names

• Benzaldehyde, 2,3,6-trichloro-

• 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_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	[149.50; 268.41]	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			5.55900e+01
Coefficient B			4.06300e-01
Coefficient C			-2.41280e-04
Coefficient D			4.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.50	J/mol×K	273.00	Calculated Property
Cp,gas	171.25	J/mol×K	353.78	Calculated Property
Cp,gas	190.51	J/mol×K	434.56	Calculated Property
Cp,gas	207.44	J/mol×K	515.33	Calculated Property
Cp,gas	222.18	J/mol×K	596.11	Calculated Property
Cp,gas	234.89	J/mol×K	676.89	Calculated Property
Cp,gas	245.71	J/mol×K	757.67	Calculated Property
Cp,gas	254.81	J/mol×K	838.44	Calculated Property
Cp,gas	262.32	J/mol×K	919.22	Calculated Property
Cp,gas	268.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015051; 0.0003369]	Pa×s	[364.39; 561.09]	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			-1.07685e+01
Coefficient B			1.55579e+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.			364.39
Temperature range, max.			561.09
η	0.0015051	Pa×s	364.39	Calculated Property
η	0.0011821	Pa×s	386.25	Calculated Property
η	0.0009527	Pa×s	408.10	Calculated Property
η	0.0007849	Pa×s	429.96	Calculated Property
η	0.0006588	Pa×s	451.81	Calculated Property
η	0.0005621	Pa×s	473.67	Calculated Property
η	0.0004863	Pa×s	495.52	Calculated Property
η	0.0004259	Pa×s	517.38	Calculated Property
η	0.0003770	Pa×s	539.24	Calculated Property
η	0.0003369	Pa×s	561.09	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,6-TRICHLOROBENZALDEHYDE.

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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