Chemical Properties of Cyclohexanone, 2-ethyl- (CAS 4423-94-3)

InChI

InChI=1S/C8H14O/c1-2-7-5-3-4-6-8(7)9/h7H,2-6H2,1H3

InChI Key

WKYYYUWKFPFVEY-UHFFFAOYSA-N

Formula

C8H14O

SMILES

CCC1CCCCC1=O

Molecular Weight¹

126.20

CAS

4423-94-3

Other Names

• 2-Ethylcyclohexanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_c : Critical Temperature (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	-265.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.82	kJ/mol	Joback Calculated Property
ΔvapH°	51.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-1.53		Relay (1.0) Calculated Property
logPoct/wat	2.156		Crippen Calculated Property
McVol	114.290	ml/mol	McGowan Calculated Property
Inp	[1158.00; 1158.00]
Inp	1158.00		NIST
Inp	1158.00		NIST
Inp	1158.00		NIST
Ip	[1651.00; 1651.00]
Ip	1651.00		NIST
Ip	1651.00		NIST
Tboil	454.66	K	Relay (1.0) Calculated Property
Tc	684.57	K	Relay (1.0) Calculated Property
Tfus	230.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.44; 416.26]	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			-3.35590e+01
Coefficient B			7.17620e-01
Coefficient C			-2.48400e-04
Coefficient D			-1.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.44	J/mol×K	273.00	Calculated Property
Cp,gas	188.37	J/mol×K	353.78	Calculated Property
Cp,gas	229.79	J/mol×K	434.56	Calculated Property
Cp,gas	267.63	J/mol×K	515.33	Calculated Property
Cp,gas	301.84	J/mol×K	596.11	Calculated Property
Cp,gas	332.36	J/mol×K	676.89	Calculated Property
Cp,gas	359.12	J/mol×K	757.67	Calculated Property
Cp,gas	382.07	J/mol×K	838.44	Calculated Property
Cp,gas	401.13	J/mol×K	919.22	Calculated Property
Cp,gas	416.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2-ethyl-.

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.
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