Chemical Properties of 1,3-Dichlorocyclohexene

InChI

InChI=1S/C6H8Cl2/c7-5-2-1-3-6(8)4-5/h4-5H,1-3H2

InChI Key

XQROSXTWWDQLMZ-UHFFFAOYSA-N

Formula

C6H8Cl2

SMILES

ClC1=CC(Cl)CCC1

Molecular Weight¹

151.03

• 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

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	[117.53; 296.15]	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			-2.03100e+01
Coefficient B			5.94000e-01
Coefficient C			-3.44640e-04
Coefficient D			6.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.53	J/mol×K	273.00	Calculated Property
Cp,gas	149.67	J/mol×K	353.78	Calculated Property
Cp,gas	178.24	J/mol×K	434.56	Calculated Property
Cp,gas	203.46	J/mol×K	515.33	Calculated Property
Cp,gas	225.53	J/mol×K	596.11	Calculated Property
Cp,gas	244.67	J/mol×K	676.89	Calculated Property
Cp,gas	261.09	J/mol×K	757.67	Calculated Property
Cp,gas	275.00	J/mol×K	838.44	Calculated Property
Cp,gas	286.62	J/mol×K	919.22	Calculated Property
Cp,gas	296.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032773; 0.0002859]	Pa×s	[237.88; 462.27]	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			-1.07455e+01
Coefficient B			1.19529e+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.			237.88
Temperature range, max.			462.27
η	0.0032773	Pa×s	237.88	Calculated Property
η	0.0020347	Pa×s	262.81	Calculated Property
η	0.0013720	Pa×s	287.74	Calculated Property
η	0.0009851	Pa×s	312.68	Calculated Property
η	0.0007428	Pa×s	337.61	Calculated Property
η	0.0005823	Pa×s	362.54	Calculated Property
η	0.0004710	Pa×s	387.47	Calculated Property
η	0.0003909	Pa×s	412.41	Calculated Property
η	0.0003313	Pa×s	437.34	Calculated Property
η	0.0002859	Pa×s	462.27	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dichlorocyclohexene.

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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