Chemical Properties of 4-oxo- «beta»-cyclocitral

InChI

InChI=1S/C9H12O2/c1-9(2)4-3-8(11)5-7(9)6-10/h5-6H,3-4H2,1-2H3

InChI Key

AODZASMSAIPDLQ-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CC1(C)CCC(=O)C=C1C=O

Molecular Weight¹

152.19

• 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 : 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°	-157.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-336.50	kJ/mol	Joback Calculated Property
ΔfusH°	7.24	kJ/mol	Joback Calculated Property
ΔvapH°	46.83	kJ/mol	Joback Calculated Property
log10WS	-1.66		Crippen Calculated Property
logPoct/wat	1.501		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3452.08	kPa	Joback Calculated Property
I	[1951.00; 1951.00]
I	1951.00		NIST
I	1951.00		NIST
Tboil	545.73	K	Joback Calculated Property
Tc	779.26	K	Joback Calculated Property
Tfus	345.97	K	Joback Calculated Property
Vc	0.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[295.40; 371.94]	J/mol×K	[545.73; 779.26]
Cp,gas	295.40	J/mol×K	545.73	Joback Calculated Property
Cp,gas	309.96	J/mol×K	584.65	Joback Calculated Property
Cp,gas	323.66	J/mol×K	623.57	Joback Calculated Property
Cp,gas	336.62	J/mol×K	662.49	Joback Calculated Property
Cp,gas	348.92	J/mol×K	701.41	Joback Calculated Property
Cp,gas	360.66	J/mol×K	740.34	Joback Calculated Property
Cp,gas	371.94	J/mol×K	779.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-oxo- «beta»-cyclocitral.

Sources

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

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