Chemical Properties of Isocurcumenol

InChI

InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3

InChI Key

ISFMXVMWEWLJGJ-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CC1=CC2(O)OC3(CC2=C(C)C)C(C)CCC13

Molecular Weight¹

234.33

• 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°	49.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-308.39	kJ/mol	Joback Calculated Property
ΔfusH°	25.20	kJ/mol	Joback Calculated Property
ΔvapH°	69.47	kJ/mol	Joback Calculated Property
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	3.177		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Pc	2443.48	kPa	Joback Calculated Property
I	[2403.00; 2403.00]
I	2403.00		NIST
I	2403.00		NIST
Tboil	696.96	K	Joback Calculated Property
Tc	912.86	K	Joback Calculated Property
Tfus	446.22	K	Joback Calculated Property
Vc	0.736	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.31; 680.91]	J/mol×K	[696.96; 912.86]
Cp,gas	581.31	J/mol×K	696.96	Joback Calculated Property
Cp,gas	598.15	J/mol×K	732.94	Joback Calculated Property
Cp,gas	614.54	J/mol×K	768.93	Joback Calculated Property
Cp,gas	630.74	J/mol×K	804.91	Joback Calculated Property
Cp,gas	647.03	J/mol×K	840.89	Joback Calculated Property
Cp,gas	663.66	J/mol×K	876.88	Joback Calculated Property
Cp,gas	680.91	J/mol×K	912.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isocurcumenol.

Sources

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

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