Chemical Properties of Cyclohexane, 1-chloro-2-trichloromethyl, trans

InChI

InChI=1S/C7H10Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h5-6H,1-4H2/t5-,6-/m1/s1

InChI Key

SQMLDZKFEVOIOM-PHDIDXHHSA-N

Formula

C7H10Cl4

SMILES

ClC1CCCCC1C(Cl)(Cl)Cl

Molecular Weight¹

235.97

• 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.
• 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, 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	[170.28; 406.75]	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			-3.60500e+01
Coefficient B			9.17400e-01
Coefficient C			-6.36000e-04
Coefficient D			1.61400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.28	J/mol×K	273.00	Calculated Property
Cp,gas	216.05	J/mol×K	353.78	Calculated Property
Cp,gas	255.75	J/mol×K	434.56	Calculated Property
Cp,gas	289.90	J/mol×K	515.33	Calculated Property
Cp,gas	319.01	J/mol×K	596.11	Calculated Property
Cp,gas	343.58	J/mol×K	676.89	Calculated Property
Cp,gas	364.13	J/mol×K	757.67	Calculated Property
Cp,gas	381.17	J/mol×K	838.44	Calculated Property
Cp,gas	395.21	J/mol×K	919.22	Calculated Property
Cp,gas	406.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047578; 0.0003120]	Pa×s	[293.89; 536.18]	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			-1.13773e+01
Coefficient B			1.77196e+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.			293.89
Temperature range, max.			536.18
η	0.0047578	Pa×s	293.89	Calculated Property
η	0.0028686	Pa×s	320.81	Calculated Property
η	0.0018705	Pa×s	347.73	Calculated Property
η	0.0012970	Pa×s	374.65	Calculated Property
η	0.0009446	Pa×s	401.58	Calculated Property
η	0.0007159	Pa×s	428.50	Calculated Property
η	0.0005606	Pa×s	455.42	Calculated Property
η	0.0004512	Pa×s	482.34	Calculated Property
η	0.0003716	Pa×s	509.26	Calculated Property
η	0.0003120	Pa×s	536.18	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-chloro-2-trichloromethyl, trans.

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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