Chemical Properties of 1-CYCLOHEXYL-1-BUTANONE

InChI

InChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h9H,2-8H2,1H3

InChI Key

UYMHLXHLPQIDMA-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CCCC(=O)C1CCCCC1

Molecular Weight¹

154.25

Other Names

• 1-Cyclohexanol-1-butanone
• 1-cyclohexylbutan-1-one

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	-311.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.09	kJ/mol	Joback Calculated Property
ΔvapH°	54.04	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.62		Relay (1.0) Calculated Property
logPoct/wat	2.936		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
Ip	[1984.00; 1984.00]
Ip	1984.00		NIST
Ip	1984.00		NIST
Tboil	486.87	K	Relay (1.0) Calculated Property
Tfus	264.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[180.43; 509.33]	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			-6.44480e+01
Coefficient B			1.04792e+00
Coefficient C			-5.82500e-04
Coefficient D			1.08360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.43	J/mol×K	273.00	Calculated Property
Cp,gas	238.18	J/mol×K	353.78	Calculated Property
Cp,gas	289.83	J/mol×K	434.56	Calculated Property
Cp,gas	335.72	J/mol×K	515.33	Calculated Property
Cp,gas	376.19	J/mol×K	596.11	Calculated Property
Cp,gas	411.59	J/mol×K	676.89	Calculated Property
Cp,gas	442.27	J/mol×K	757.67	Calculated Property
Cp,gas	468.55	J/mol×K	838.44	Calculated Property
Cp,gas	490.79	J/mol×K	919.22	Calculated Property
Cp,gas	509.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059552; 0.0003033]	Pa×s	[259.77; 496.40]	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			-1.13694e+01
Coefficient B			1.62250e+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.			259.77
Temperature range, max.			496.40
η	0.0059552	Pa×s	259.77	Calculated Property
η	0.0033541	Pa×s	286.06	Calculated Property
η	0.0020808	Pa×s	312.35	Calculated Property
η	0.0013902	Pa×s	338.65	Calculated Property
η	0.0009844	Pa×s	364.94	Calculated Property
η	0.0007302	Pa×s	391.23	Calculated Property
η	0.0005623	Pa×s	417.52	Calculated Property
η	0.0004467	Pa×s	443.82	Calculated Property
η	0.0003641	Pa×s	470.11	Calculated Property
η	0.0003033	Pa×s	496.40	Calculated Property

Similar Compounds

Find more compounds similar to 1-CYCLOHEXYL-1-BUTANONE.

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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