Chemical Properties of Ethanone, 1-cyclohexyl-

InChI

InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3

InChI Key

RIFKADJTWUGDOV-UHFFFAOYSA-N

Formula

C8H14O

SMILES

CC(=O)C1CCCCC1

Molecular Weight¹

126.20

Other Names

• 1-Acetylcyclohexane
• 1-Cyclohexylethanone
• 1-cyclohexylethan-1-one
• Acetophenone, hexahydro-
• Acetylcyclohexane
• Cyclohexane, acetyl-
• Cyclohexyl methyl ketone
• Cyclohexylethanone
• Ketone, cyclohexyl methyl
• Methyl cyclohexyl ketone
• NSC 16249
• c-C6H11COCH3

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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.
• 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
PAff	841.40	kJ/mol	NIST
BasG	809.50	kJ/mol	NIST
ΔfH°gas	-273.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.91	kJ/mol	Joback Calculated Property
ΔvapH°	48.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-1.56		Relay (1.0) Calculated Property
logPoct/wat	2.156		Crippen Calculated Property
McVol	114.290	ml/mol	McGowan Calculated Property
Inp	[963.00; 1007.00]
Inp	963.00		NIST
Inp	1007.00		NIST
Inp	963.00		NIST
Tboil	455.88	K	Relay (1.0) Calculated Property
Tfus	239.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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	[138.00; 406.15]	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			-6.26300e+01
Coefficient B			8.57920e-01
Coefficient C			-4.73700e-04
Coefficient D			8.45600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.00	J/mol×K	273.00	Calculated Property
Cp,gas	185.34	J/mol×K	353.78	Calculated Property
Cp,gas	227.67	J/mol×K	434.56	Calculated Property
Cp,gas	265.26	J/mol×K	515.33	Calculated Property
Cp,gas	298.37	J/mol×K	596.11	Calculated Property
Cp,gas	327.27	J/mol×K	676.89	Calculated Property
Cp,gas	352.23	J/mol×K	757.67	Calculated Property
Cp,gas	373.52	J/mol×K	838.44	Calculated Property
Cp,gas	391.41	J/mol×K	919.22	Calculated Property
Cp,gas	406.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056554; 0.0003000]	Pa×s	[239.15; 468.62]	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			-1.11721e+01
Coefficient B			1.43418e+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.			239.15
Temperature range, max.			468.62
η	0.0056554	Pa×s	239.15	Calculated Property
η	0.0031735	Pa×s	264.65	Calculated Property
η	0.0019711	Pa×s	290.14	Calculated Property
η	0.0013222	Pa×s	315.64	Calculated Property
η	0.0009415	Pa×s	341.14	Calculated Property
η	0.0007028	Pa×s	366.63	Calculated Property
η	0.0005450	Pa×s	392.13	Calculated Property
η	0.0004359	Pa×s	417.63	Calculated Property
η	0.0003578	Pa×s	443.13	Calculated Property
η	0.0003000	Pa×s	468.62	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-cyclohexyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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