Chemical Properties of Ethanone, 1-(1-cyclohexen-1-yl)- (CAS 932-66-1)

InChI

InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3

InChI Key

LTYLUDGDHUEBGX-UHFFFAOYSA-N

Formula

C8H12O

SMILES

CC(=O)C1=CCCCC1

Molecular Weight¹

124.18

CAS

932-66-1

Other Names

• Ketone, 1-cyclohexen-1-yl methyl
• Methyl 1-cyclohexenyl ketone
• 1-Acetylcyclohexene
• 1-Cyclohexen-1-yl methyl ketone
• 1-Acetyl-1-cyclohexene
• 1-[1-cyclohexen-1-yl]-ethanone
• cyclohex-1-enylmethylketone

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔfH°gas	-171.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.67	kJ/mol	Joback Calculated Property
ΔvapH°	55.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-1.62		Relay (1.0) Calculated Property
logPoct/wat	2.076		Crippen Calculated Property
McVol	109.990	ml/mol	McGowan Calculated Property
Pc	3611.55	kPa	Joback Calculated Property
Inp	[931.00; 1023.00]
Inp	1023.00		NIST
Inp	931.00		NIST
Inp	931.00		NIST
Inp	1023.00		NIST
Tboil	[474.70; 475.00]	K
Tboil	474.70	K	NIST
Tboil	475.00 ± 7.00	K	NIST
Tc	692.19	K	Relay (1.0) Calculated Property
Tfus	346.00	K	NIST
Vc	0.389	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.10; 298.17]	J/mol×K	[464.87; 682.17]
Cp,gas	223.10	J/mol×K	464.87	Joback Calculated Property
Cp,gas	237.56	J/mol×K	501.09	Joback Calculated Property
Cp,gas	251.21	J/mol×K	537.30	Joback Calculated Property
Cp,gas	264.07	J/mol×K	573.52	Joback Calculated Property
Cp,gas	276.16	J/mol×K	609.74	Joback Calculated Property
Cp,gas	287.52	J/mol×K	645.95	Joback Calculated Property
Cp,gas	298.17	J/mol×K	682.17	Joback Calculated Property
η	[0.0002947; 0.0044881]	Pa×s	[254.75; 464.87]
η	0.0044881	Pa×s	254.75	Joback Calculated Property
η	0.0021669	Pa×s	289.77	Joback Calculated Property
η	0.0012241	Pa×s	324.79	Joback Calculated Property
η	0.0007728	Pa×s	359.81	Joback Calculated Property
η	0.0005293	Pa×s	394.83	Joback Calculated Property
η	0.0003857	Pa×s	429.85	Joback Calculated Property
η	0.0002947	Pa×s	464.87	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Ethanone, 1-(1-cyclohexen-1-yl)-.

Sources

• Cheméo Relay (1.0)
• 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.
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