Chemical Properties of 1-trans-2-trans-4-cis-5-Tetrachlorocyclohexane

InChI

InChI=1S/C6H8Cl4/c7-3-1-4(8)6(10)2-5(3)9/h3-6H,1-2H2/t3-,4+,5-,6+

InChI Key

WCKYEVXZTBRMIY-FBXFSONDSA-N

Formula

C6H8Cl4

SMILES

ClC1CC(Cl)C(Cl)CC1Cl

Molecular Weight¹

221.94

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.13	kJ/mol	Joback Calculated Property
logPoct/wat	3.210		Crippen Calculated Property
McVol	133.500	ml/mol	McGowan Calculated Property
Inp	[1361.00; 1362.00]
Inp	1361.00		NIST
Inp	1362.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[155.06; 367.01]	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			1.21000e+00
Coefficient B			6.43600e-01
Coefficient C			-2.99000e-04
Coefficient D			2.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.06	J/mol×K	273.00	Calculated Property
Cp,gas	192.42	J/mol×K	353.78	Calculated Property
Cp,gas	226.17	J/mol×K	434.56	Calculated Property
Cp,gas	256.37	J/mol×K	515.33	Calculated Property
Cp,gas	283.11	J/mol×K	596.11	Calculated Property
Cp,gas	306.44	J/mol×K	676.89	Calculated Property
Cp,gas	326.42	J/mol×K	757.67	Calculated Property
Cp,gas	343.13	J/mol×K	838.44	Calculated Property
Cp,gas	356.64	J/mol×K	919.22	Calculated Property
Cp,gas	367.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020679; 0.0004130]	Pa×s	[271.72; 507.63]	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			-9.64758e+00
Coefficient B			9.41880e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			271.72
Temperature range, max.			507.63
η	0.0020679	Pa×s	271.72	Calculated Property
η	0.0015243	Pa×s	297.93	Calculated Property
η	0.0011805	Pa×s	324.14	Calculated Property
η	0.0009498	Pa×s	350.36	Calculated Property
η	0.0007877	Pa×s	376.57	Calculated Property
η	0.0006694	Pa×s	402.78	Calculated Property
η	0.0005803	Pa×s	428.99	Calculated Property
η	0.0005114	Pa×s	455.20	Calculated Property
η	0.0004569	Pa×s	481.41	Calculated Property
η	0.0004130	Pa×s	507.63	Calculated Property

Similar Compounds

Find more compounds similar to 1-trans-2-trans-4-cis-5-Tetrachlorocyclohexane.

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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