Chemical Properties of Confertifolin

InChI

InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3/t12-,15+/m1/s1

InChI Key

ZERYGJQXPPRRCW-DOMZBBRYSA-N

Formula

C15H22O2

SMILES

CC1(C)CCCC2(C)C3=C(CCC12)C(=O)OC3

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_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°	0.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-363.55	kJ/mol	Joback Calculated Property
ΔfusH°	15.95	kJ/mol	Joback Calculated Property
ΔvapH°	57.48	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Pc	2388.85	kPa	Joback Calculated Property
Inp	[1997.00; 1997.00]
Inp	1997.00		NIST
Inp	1997.00		NIST
Tboil	684.27	K	Joback Calculated Property
Tc	935.98	K	Joback Calculated Property
Tfus	466.94	K	Joback Calculated Property
Vc	0.725	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.41; 701.77]	J/mol×K	[684.27; 935.98]
Cp,gas	577.41	J/mol×K	684.27	Joback Calculated Property
Cp,gas	599.11	J/mol×K	726.22	Joback Calculated Property
Cp,gas	619.96	J/mol×K	768.17	Joback Calculated Property
Cp,gas	640.32	J/mol×K	810.12	Joback Calculated Property
Cp,gas	660.51	J/mol×K	852.08	Joback Calculated Property
Cp,gas	680.88	J/mol×K	894.03	Joback Calculated Property
Cp,gas	701.77	J/mol×K	935.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Confertifolin.

Sources

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

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