Chemical Properties of 2-Acetonylcyclohexanone (CAS 6126-53-0)

InChI

InChI=1S/C9H14O2/c1-7(10)6-8-4-2-3-5-9(8)11/h8H,2-6H2,1H3

InChI Key

ZBEKDHUCMTXKAO-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

CC(=O)CC1CCCCC1=O

Molecular Weight¹

154.21

CAS

6126-53-0

• 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.
• 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°	-202.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-425.05	kJ/mol	Joback Calculated Property
ΔfusH°	12.01	kJ/mol	Joback Calculated Property
ΔvapH°	47.05	kJ/mol	Joback Calculated Property
log10WS	-1.80		Crippen Calculated Property
logPoct/wat	1.725		Crippen Calculated Property
McVol	129.950	ml/mol	McGowan Calculated Property
Pc	3159.72	kPa	Joback Calculated Property
Inp	[1354.00; 1354.00]
Inp	1354.00		NIST
Inp	1354.00		NIST
Tboil	546.56	K	Joback Calculated Property
Tc	772.73	K	Joback Calculated Property
Tfus	316.72	K	Joback Calculated Property
Vc	0.485	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.16; 401.92]	J/mol×K	[546.56; 772.73]
Cp,gas	314.16	J/mol×K	546.56	Joback Calculated Property
Cp,gas	331.03	J/mol×K	584.25	Joback Calculated Property
Cp,gas	347.01	J/mol×K	621.95	Joback Calculated Property
Cp,gas	362.09	J/mol×K	659.64	Joback Calculated Property
Cp,gas	376.28	J/mol×K	697.34	Joback Calculated Property
Cp,gas	389.55	J/mol×K	735.03	Joback Calculated Property
Cp,gas	401.92	J/mol×K	772.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Acetonylcyclohexanone.

Sources

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

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