Chemical Properties of Curcumenone (CAS 100347-96-4)

InChI

InChI=1S/C15H22O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h12-13H,5-8H2,1-4H3

InChI Key

HUZJLWLCLJEXEL-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CC(=O)CCC1C2CC(=C(C)C)C(=O)CC12C

Molecular Weight¹

234.33

CAS

100347-96-4

• 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°	-42.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-402.63	kJ/mol	Joback Calculated Property
ΔfusH°	23.67	kJ/mol	Joback Calculated Property
ΔvapH°	59.38	kJ/mol	Joback Calculated Property
log10WS	-3.58		Crippen Calculated Property
logPoct/wat	3.307		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	2012.70	kPa	Joback Calculated Property
Inp	[1844.40; 1844.40]
Inp	1844.40		NIST
Inp	1844.40		NIST
Tboil	684.13	K	Joback Calculated Property
Tc	905.35	K	Joback Calculated Property
Tfus	425.38	K	Joback Calculated Property
Vc	0.775	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.27; 682.11]	J/mol×K	[684.13; 905.35]
Cp,gas	580.27	J/mol×K	684.13	Joback Calculated Property
Cp,gas	598.93	J/mol×K	721.00	Joback Calculated Property
Cp,gas	616.72	J/mol×K	757.87	Joback Calculated Property
Cp,gas	633.78	J/mol×K	794.74	Joback Calculated Property
Cp,gas	650.27	J/mol×K	831.61	Joback Calculated Property
Cp,gas	666.33	J/mol×K	868.48	Joback Calculated Property
Cp,gas	682.11	J/mol×K	905.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Curcumenone.

Sources

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

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