Chemical Properties of Ethanone, 1-cyclohexyl- (CAS 823-76-7)

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

CAS

823-76-7

Other Names

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

• 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_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.
• 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
PAff	841.40	kJ/mol	NIST
BasG	809.50	kJ/mol	NIST
ΔfG°	-87.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-266.71	kJ/mol	Joback Calculated Property
ΔfusH°	9.91	kJ/mol	Joback Calculated Property
ΔvapH°	40.58	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	3388.08	kPa	Joback Calculated Property
Inp	[963.00; 1007.00]
Inp	963.00		NIST
Inp	1007.00		NIST
Tboil	455.86	K	Joback Calculated Property
Tc	669.17	K	Joback Calculated Property
Tfus	237.23	K	Joback Calculated Property
Vc	0.422	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.03; 324.68]	J/mol×K	[455.86; 669.17]
Cp,gas	238.03	J/mol×K	455.86	Joback Calculated Property
Cp,gas	254.60	J/mol×K	491.41	Joback Calculated Property
Cp,gas	270.29	J/mol×K	526.96	Joback Calculated Property
Cp,gas	285.12	J/mol×K	562.51	Joback Calculated Property
Cp,gas	299.12	J/mol×K	598.06	Joback Calculated Property
Cp,gas	312.30	J/mol×K	633.62	Joback Calculated Property
Cp,gas	324.68	J/mol×K	669.17	Joback Calculated Property
η	[0.0003268; 0.0059366]	Pa×s	[237.23; 455.86]
η	0.0059366	Pa×s	237.23	Joback Calculated Property
η	0.0026543	Pa×s	273.67	Joback Calculated Property
η	0.0014339	Pa×s	310.11	Joback Calculated Property
η	0.0008817	Pa×s	346.55	Joback Calculated Property
η	0.0005947	Pa×s	382.98	Joback Calculated Property
η	0.0004296	Pa×s	419.42	Joback Calculated Property
η	0.0003268	Pa×s	455.86	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

• 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.