Chemical Properties of 3,4,5-TRICHLORO-BENZENE-1,2-DIOL

InChI

InChI=1S/C6H3Cl3O2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H

InChI Key

FUTDYIMYZIMPBJ-UHFFFAOYSA-N

Formula

C6H3Cl3O2

SMILES

Oc1cc(Cl)c(Cl)c(Cl)c1O

Molecular Weight¹

213.45

Other Names

• 3,4,5-Trichloro-1,2-benzenediol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.60; 273.92]	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			1.29600e+01
Coefficient B			7.05500e-01
Coefficient C			-7.73640e-04
Coefficient D			3.29100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.60	J/mol×K	273.00	Calculated Property
Cp,gas	180.29	J/mol×K	353.78	Calculated Property
Cp,gas	200.45	J/mol×K	434.56	Calculated Property
Cp,gas	216.11	J/mol×K	515.33	Calculated Property
Cp,gas	228.32	J/mol×K	596.11	Calculated Property
Cp,gas	238.11	J/mol×K	676.89	Calculated Property
Cp,gas	246.52	J/mol×K	757.67	Calculated Property
Cp,gas	254.60	J/mol×K	838.44	Calculated Property
Cp,gas	263.39	J/mol×K	919.22	Calculated Property
Cp,gas	273.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000504; 0.0000057]	Pa×s	[522.04; 635.89]	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			-2.20506e+01
Coefficient B			6.34582e+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.			522.04
Temperature range, max.			635.89
η	0.0000504	Pa×s	522.04	Calculated Property
η	0.0000378	Pa×s	534.69	Calculated Property
η	0.0000288	Pa×s	547.34	Calculated Property
η	0.0000221	Pa×s	559.99	Calculated Property
η	0.0000172	Pa×s	572.64	Calculated Property
η	0.0000136	Pa×s	585.29	Calculated Property
η	0.0000108	Pa×s	597.94	Calculated Property
η	0.0000087	Pa×s	610.59	Calculated Property
η	0.0000070	Pa×s	623.24	Calculated Property
η	0.0000057	Pa×s	635.89	Calculated Property

Similar Compounds

Find more compounds similar to 3,4,5-TRICHLORO-BENZENE-1,2-DIOL.

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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