Chemical Properties of 1-trans-2-cis-3-Trichlorocyclohexane

InChI

InChI=1S/C6H9Cl3/c7-4-2-1-3-5(8)6(4)9/h4-6H,1-3H2/t4-,5+,6+

InChI Key

PJBPZADYKKPBAX-FMCRUOTFSA-N

Formula

C6H9Cl3

SMILES

Cl[C@H]1[C@H](Cl)CCC[C@@H]1Cl

Molecular Weight¹

187.50

• 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).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfusH°	17.86	kJ/mol	Joback Calculated Property
IE	10.20	eV	Relay (1.0) Calculated Property
logPoct/wat	2.993		Crippen Calculated Property
McVol	121.260	ml/mol	McGowan Calculated Property
Inp	[1192.00; 1192.00]
Inp	1192.00		NIST
Inp	1192.00		NIST
Tboil	509.51	K	Relay (1.0) Calculated Property
Tfus	305.93	K	Relay (1.0) Calculated Property

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, 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	[139.39; 352.08]	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			-1.76200e+01
Coefficient B			6.63300e-01
Coefficient C			-3.34000e-04
Coefficient D			4.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.39	J/mol×K	273.00	Calculated Property
Cp,gas	177.03	J/mol×K	353.78	Calculated Property
Cp,gas	210.86	J/mol×K	434.56	Calculated Property
Cp,gas	241.03	J/mol×K	515.33	Calculated Property
Cp,gas	267.65	J/mol×K	596.11	Calculated Property
Cp,gas	290.86	J/mol×K	676.89	Calculated Property
Cp,gas	310.78	J/mol×K	757.67	Calculated Property
Cp,gas	327.53	J/mol×K	838.44	Calculated Property
Cp,gas	341.26	J/mol×K	919.22	Calculated Property
Cp,gas	352.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027049; 0.0003588]	Pa×s	[246.04; 480.64]	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			-1.00512e+01
Coefficient B			1.01825e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			246.04
Temperature range, max.			480.64
η	0.0027049	Pa×s	246.04	Calculated Property
η	0.0018196	Pa×s	272.11	Calculated Property
η	0.0013119	Pa×s	298.17	Calculated Property
η	0.0009970	Pa×s	324.24	Calculated Property
η	0.0007892	Pa×s	350.30	Calculated Property
η	0.0006453	Pa×s	376.37	Calculated Property
η	0.0005416	Pa×s	402.44	Calculated Property
η	0.0004643	Pa×s	428.50	Calculated Property
η	0.0004052	Pa×s	454.57	Calculated Property
η	0.0003588	Pa×s	480.64	Calculated Property

Similar Compounds

Find more compounds similar to 1-trans-2-cis-3-Trichlorocyclohexane.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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