Chemical Properties of 3-Cyclohexenecarbonyl chloride (CAS 932-67-2)

InChI

InChI=1S/C7H9ClO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2

InChI Key

CXWMHIRIXVNVQN-UHFFFAOYSA-N

Formula

C7H9ClO

SMILES

O=C(Cl)C1CC=CCC1

Molecular Weight¹

144.60

CAS

932-67-2

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.71; 331.53]	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			-4.10500e+01
Coefficient B			7.13700e-01
Coefficient C			-4.26980e-04
Coefficient D			8.58600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.71	J/mol×K	273.00	Calculated Property
Cp,gas	161.80	J/mol×K	353.78	Calculated Property
Cp,gas	195.51	J/mol×K	434.56	Calculated Property
Cp,gas	225.10	J/mol×K	515.33	Calculated Property
Cp,gas	250.86	J/mol×K	596.11	Calculated Property
Cp,gas	273.04	J/mol×K	676.89	Calculated Property
Cp,gas	291.93	J/mol×K	757.67	Calculated Property
Cp,gas	307.79	J/mol×K	838.44	Calculated Property
Cp,gas	320.90	J/mol×K	919.22	Calculated Property
Cp,gas	331.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044130; 0.0003257]	Pa×s	[256.64; 486.53]	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			-1.09390e+01
Coefficient B			1.41558e+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.			256.64
Temperature range, max.			486.53
η	0.0044130	Pa×s	256.64	Calculated Property
η	0.0026785	Pa×s	282.18	Calculated Property
η	0.0017662	Pa×s	307.73	Calculated Property
η	0.0012414	Pa×s	333.27	Calculated Property
η	0.0009175	Pa×s	358.82	Calculated Property
η	0.0007059	Pa×s	384.36	Calculated Property
η	0.0005611	Pa×s	409.90	Calculated Property
η	0.0004582	Pa×s	435.45	Calculated Property
η	0.0003827	Pa×s	460.99	Calculated Property
η	0.0003257	Pa×s	486.53	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclohexenecarbonyl chloride.

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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