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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.45; 300.65]	J/mol×K	[470.41; 693.24]
Cp,gas	224.45	J/mol×K	470.41	Joback Calculated Property
Cp,gas	239.24	J/mol×K	507.55	Joback Calculated Property
Cp,gas	253.16	J/mol×K	544.69	Joback Calculated Property
Cp,gas	266.24	J/mol×K	581.82	Joback Calculated Property
Cp,gas	278.49	J/mol×K	618.96	Joback Calculated Property
Cp,gas	289.96	J/mol×K	656.10	Joback Calculated Property
Cp,gas	300.65	J/mol×K	693.24	Joback Calculated Property
η	[0.0003691; 0.0054577]	Pa×s	[255.88; 470.41]
η	0.0054577	Pa×s	255.88	Joback Calculated Property
η	0.0026455	Pa×s	291.63	Joback Calculated Property
η	0.0015022	Pa×s	327.39	Joback Calculated Property
η	0.0009535	Pa×s	363.14	Joback Calculated Property
η	0.0006566	Pa×s	398.90	Joback Calculated Property
η	0.0004808	Pa×s	434.65	Joback Calculated Property
η	0.0003691	Pa×s	470.41	Joback Calculated Property

Pressure Dependent Properties

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

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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