Chemical Properties of Phenyl cyclohexyl ketone (CAS 712-50-5)

InChI

InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2

InChI Key

BMFYCFSWWDXEPB-UHFFFAOYSA-N

Formula

C13H16O

SMILES

O=C(c1ccccc1)C1CCCCC1

Molecular Weight¹

188.27

CAS

712-50-5

Other Names

• Methanone, cyclohexylphenyl-
• Ketone, cyclohexyl phenyl
• Benzophenone, 1,2,3,4,5,6-hexahydro-
• Benzoyl cyclohexane
• Cyclohexyl phenyl ketone
• USAF KF-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[428.00; 437.70]	K	[2.00; 2.40]
Tboilr	428.00 ± 2.00	K	2.00	NIST
Tboilr	437.70	K	2.40	NIST
Tboilr	437.50 ± 0.50	K	2.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.81; 545.58]	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			-1.01080e+02
Coefficient B			1.25400e+00
Coefficient C			-7.76900e-04
Coefficient D			1.69560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.81	J/mol×K	273.00	Calculated Property
Cp,gas	252.83	J/mol×K	353.78	Calculated Property
Cp,gas	311.06	J/mol×K	434.56	Calculated Property
Cp,gas	362.03	J/mol×K	515.33	Calculated Property
Cp,gas	406.29	J/mol×K	596.11	Calculated Property
Cp,gas	444.37	J/mol×K	676.89	Calculated Property
Cp,gas	476.80	J/mol×K	757.67	Calculated Property
Cp,gas	504.12	J/mol×K	838.44	Calculated Property
Cp,gas	526.87	J/mol×K	919.22	Calculated Property
Cp,gas	545.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029636; 0.0002342]	Pa×s	[332.50; 588.83]	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			-1.16511e+01
Coefficient B			1.93840e+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.			332.50
Temperature range, max.			588.83
η	0.0029636	Pa×s	332.50	Calculated Property
η	0.0018709	Pa×s	360.98	Calculated Property
η	0.0012633	Pa×s	389.46	Calculated Property
η	0.0008999	Pa×s	417.94	Calculated Property
η	0.0006694	Pa×s	446.43	Calculated Property
η	0.0005160	Pa×s	474.91	Calculated Property
η	0.0004096	Pa×s	503.39	Calculated Property
η	0.0003333	Pa×s	531.87	Calculated Property
η	0.0002769	Pa×s	560.35	Calculated Property
η	0.0002342	Pa×s	588.83	Calculated Property

Similar Compounds

Find more compounds similar to Phenyl cyclohexyl ketone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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