Chemical Properties of o-Chlorophenyl cyclopentyl ketone (CAS 6740-85-8)

InChI

InChI=1S/C12H13ClO/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2

InChI Key

QIJMMRNZBJHXRI-UHFFFAOYSA-N

Formula

C12H13ClO

SMILES

O=C(c1ccccc1Cl)C1CCCC1

Molecular Weight¹

208.68

CAS

6740-85-8

Other Names

• 2-Chlorophenyl cyclopentyl ketone
• Methanone, (2-chlorophenyl)cyclopentyl-

• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[186.44; 497.44]	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			-6.78600e+01
Coefficient B			1.11590e+00
Coefficient C			-7.22260e-04
Coefficient D			1.71660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.44	J/mol×K	273.00	Calculated Property
Cp,gas	244.12	J/mol×K	353.78	Calculated Property
Cp,gas	294.76	J/mol×K	434.56	Calculated Property
Cp,gas	338.88	J/mol×K	515.33	Calculated Property
Cp,gas	377.05	J/mol×K	596.11	Calculated Property
Cp,gas	409.79	J/mol×K	676.89	Calculated Property
Cp,gas	437.66	J/mol×K	757.67	Calculated Property
Cp,gas	461.20	J/mol×K	838.44	Calculated Property
Cp,gas	480.94	J/mol×K	919.22	Calculated Property
Cp,gas	497.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024451; 0.0003245]	Pa×s	[354.69; 600.27]	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			-1.09502e+01
Coefficient B			1.75093e+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.			354.69
Temperature range, max.			600.27
η	0.0024451	Pa×s	354.69	Calculated Property
η	0.0017185	Pa×s	381.98	Calculated Property
η	0.0012660	Pa×s	409.26	Calculated Property
η	0.0009689	Pa×s	436.55	Calculated Property
η	0.0007653	Pa×s	463.83	Calculated Property
η	0.0006205	Pa×s	491.12	Calculated Property
η	0.0005143	Pa×s	518.41	Calculated Property
η	0.0004344	Pa×s	545.69	Calculated Property
η	0.0003729	Pa×s	572.98	Calculated Property
η	0.0003245	Pa×s	600.27	Calculated Property

Similar Compounds

Find more compounds similar to o-Chlorophenyl cyclopentyl ketone.

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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