Chemical Properties of Methanone, dicyclohexyl- (CAS 119-60-8)

InChI

InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2

InChI Key

TWXWPPKDQOWNSX-UHFFFAOYSA-N

Formula

C13H22O

SMILES

O=C(C1CCCCC1)C1CCCCC1

Molecular Weight¹

194.31

CAS

119-60-8

Other Names

• Cyclohexyl ketone
• Cyclohexane ketone
• Dicyclohexyl ketone
• Ketone, dicyclohexyl

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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	-318.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.69	kJ/mol	Joback Calculated Property
ΔvapH°	67.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-3.82		Relay (1.0) Calculated Property
logPoct/wat	3.716		Crippen Calculated Property
McVol	173.880	ml/mol	McGowan Calculated Property
Inp	[1535.00; 1576.00]
Inp	1535.00		NIST
Inp	1550.00		NIST
Inp	1565.00		NIST
Inp	1576.00		NIST
Inp	1535.00		NIST
Inp	1576.00		NIST
Ip	[1883.00; 1957.00]
Ip	1883.00		NIST
Ip	1920.00		NIST
Ip	1957.00		NIST
Tboil	551.58	K	Relay (1.0) Calculated Property
Tfus	326.58	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	[205.95; 649.18]	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			-1.32780e+02
Coefficient B			1.45500e+00
Coefficient C			-8.26700e-04
Coefficient D			1.53660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.95	J/mol×K	273.00	Calculated Property
Cp,gas	285.30	J/mol×K	353.78	Calculated Property
Cp,gas	355.99	J/mol×K	434.56	Calculated Property
Cp,gas	418.51	J/mol×K	515.33	Calculated Property
Cp,gas	473.34	J/mol×K	596.11	Calculated Property
Cp,gas	520.97	J/mol×K	676.89	Calculated Property
Cp,gas	561.88	J/mol×K	757.67	Calculated Property
Cp,gas	596.57	J/mol×K	838.44	Calculated Property
Cp,gas	625.50	J/mol×K	919.22	Calculated Property
Cp,gas	649.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066183; 0.0002611]	Pa×s	[300.96; 578.16]	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			-1.17605e+01
Coefficient B			2.02925e+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.			300.96
Temperature range, max.			578.16
η	0.0066183	Pa×s	300.96	Calculated Property
η	0.0035391	Pa×s	331.76	Calculated Property
η	0.0021048	Pa×s	362.56	Calculated Property
η	0.0013580	Pa×s	393.36	Calculated Property
η	0.0009337	Pa×s	424.16	Calculated Property
η	0.0006754	Pa×s	454.96	Calculated Property
η	0.0005090	Pa×s	485.76	Calculated Property
η	0.0003968	Pa×s	516.56	Calculated Property
η	0.0003181	Pa×s	547.36	Calculated Property
η	0.0002611	Pa×s	578.16	Calculated Property

Similar Compounds

Find more compounds similar to Methanone, dicyclohexyl-.

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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