Chemical Properties of Cyclohexanecarbonyl chloride

InChI

InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2

InChI Key

RVOJTCZRIKWHDX-UHFFFAOYSA-N

Formula

C7H11ClO

SMILES

O=C(Cl)C1CCCCC1

Molecular Weight¹

146.62

Other Names

• Chlorocarbonylcyclohexane
• Cyclohexanoyl chloride
• Cyclohexylcarbonyl chloride
• Hexahydrobenzoyl chloride
• Cyclohexanecarboxylic acid chloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-271.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.52	kJ/mol	Joback Calculated Property
ΔvapH°	44.68	kJ/mol	Relay (1.0) Calculated Property
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-2.60		Relay (1.0) Calculated Property
logPoct/wat	2.332		Crippen Calculated Property
McVol	112.440	ml/mol	McGowan Calculated Property
Tboil	[454.00; 457.20]	K
Tboil	457.20	K	NIST
Tboil	454.00 ± 4.00	K	NIST
Tboil	457.00 ± 3.00	K	NIST
Tfus	219.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[130.19; 362.83]	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			-4.88300e+01
Coefficient B			7.69700e-01
Coefficient C			-4.39700e-04
Coefficient D			8.16600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.19	J/mol×K	273.00	Calculated Property
Cp,gas	172.06	J/mol×K	353.78	Calculated Property
Cp,gas	209.32	J/mol×K	434.56	Calculated Property
Cp,gas	242.23	J/mol×K	515.33	Calculated Property
Cp,gas	271.05	J/mol×K	596.11	Calculated Property
Cp,gas	296.04	J/mol×K	676.89	Calculated Property
Cp,gas	317.45	J/mol×K	757.67	Calculated Property
Cp,gas	335.55	J/mol×K	838.44	Calculated Property
Cp,gas	350.59	J/mol×K	919.22	Calculated Property
Cp,gas	362.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054577; 0.0003341]	Pa×s	[255.88; 485.47]	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			-1.11172e+01
Coefficient B			1.51134e+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.			255.88
Temperature range, max.			485.47
η	0.0054577	Pa×s	255.88	Calculated Property
η	0.0031949	Pa×s	281.39	Calculated Property
η	0.0020444	Pa×s	306.90	Calculated Property
η	0.0014010	Pa×s	332.41	Calculated Property
η	0.0010132	Pa×s	357.92	Calculated Property
η	0.0007651	Pa×s	383.43	Calculated Property
η	0.0005983	Pa×s	408.94	Calculated Property
η	0.0004816	Pa×s	434.45	Calculated Property
η	0.0003971	Pa×s	459.96	Calculated Property
η	0.0003341	Pa×s	485.47	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarbonyl 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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