Chemical Properties of 1-Propanone, 1-cyclohexyl- (CAS 1123-86-0)

InChI

InChI=1S/C9H16O/c1-2-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChI Key

AMHOPTNGSNYSBL-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CCC(=O)C1CCCCC1

Molecular Weight¹

140.22

CAS

1123-86-0

Other Names

• 1-Cyclohexyl-1-propanone
• 1-cyclohexylpropan-1-one
• Ethyl cyclohexyl ketone
• Ketone, cyclohexyl ethyl

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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 formation at standard conditions, 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	[159.21; 457.74]	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			-6.35390e+01
Coefficient B			9.52920e-01
Coefficient C			-5.28100e-04
Coefficient D			9.64600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.21	J/mol×K	273.00	Calculated Property
Cp,gas	211.76	J/mol×K	353.78	Calculated Property
Cp,gas	258.75	J/mol×K	434.56	Calculated Property
Cp,gas	300.49	J/mol×K	515.33	Calculated Property
Cp,gas	337.28	J/mol×K	596.11	Calculated Property
Cp,gas	369.43	J/mol×K	676.89	Calculated Property
Cp,gas	397.25	J/mol×K	757.67	Calculated Property
Cp,gas	421.04	J/mol×K	838.44	Calculated Property
Cp,gas	441.10	J/mol×K	919.22	Calculated Property
Cp,gas	457.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060031; 0.0003040]	Pa×s	[248.50; 482.53]	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			-1.12657e+01
Coefficient B			1.52834e+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.			248.50
Temperature range, max.			482.53
η	0.0060031	Pa×s	248.50	Calculated Property
η	0.0033524	Pa×s	274.50	Calculated Property
η	0.0020707	Pa×s	300.51	Calculated Property
η	0.0013811	Pa×s	326.51	Calculated Property
η	0.0009778	Pa×s	352.51	Calculated Property
η	0.0007260	Pa×s	378.52	Calculated Property
η	0.0005600	Pa×s	404.52	Calculated Property
η	0.0004457	Pa×s	430.52	Calculated Property
η	0.0003641	Pa×s	456.52	Calculated Property
η	0.0003040	Pa×s	482.53	Calculated Property

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.