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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-81.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-291.83	kJ/mol	Joback Calculated Property
ΔfusH°	7.82	kJ/mol	Joback Calculated Property
ΔvapH°	38.08	kJ/mol	Joback Calculated Property
log10WS	-2.10		Crippen Calculated Property
logPoct/wat	2.156		Crippen Calculated Property
McVol	114.290	ml/mol	McGowan Calculated Property
Pc	3280.28	kPa	Joback Calculated Property
Inp	[1158.00; 1158.00]
Inp	1158.00		NIST
Inp	1158.00		NIST
I	1651.00		NIST
Tboil	469.81	K	Joback Calculated Property
Tc	690.17	K	Joback Calculated Property
Tfus	255.52	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.75; 337.02]	J/mol×K	[469.81; 690.17]
Cp,gas	246.75	J/mol×K	469.81	Joback Calculated Property
Cp,gas	263.69	J/mol×K	506.54	Joback Calculated Property
Cp,gas	279.88	J/mol×K	543.26	Joback Calculated Property
Cp,gas	295.31	J/mol×K	579.99	Joback Calculated Property
Cp,gas	309.98	J/mol×K	616.71	Joback Calculated Property
Cp,gas	323.89	J/mol×K	653.44	Joback Calculated Property
Cp,gas	337.02	J/mol×K	690.17	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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