Chemical Properties of Spirafolide (CAS 130838-06-1)

InChI

InChI=1S/C15H18O3/c1-9-8-17-7-6-15(3)5-4-11-10(2)14(16)18-13(11)12(9)15/h6-8,11-13H,2,4-5H2,1,3H3

InChI Key

CHJVABAWMKQXSI-UHFFFAOYSA-N

Formula

C15H18O3

SMILES

C=C1C(=O)OC2C1CCC1(C)C=COC=C(C)C21

Molecular Weight¹

246.30

CAS

130838-06-1

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.20; 678.30]	J/mol×K	[703.92; 954.02]
Cp,gas	571.20	J/mol×K	703.92	Joback Calculated Property
Cp,gas	591.29	J/mol×K	745.60	Joback Calculated Property
Cp,gas	610.24	J/mol×K	787.29	Joback Calculated Property
Cp,gas	628.24	J/mol×K	828.97	Joback Calculated Property
Cp,gas	645.46	J/mol×K	870.65	Joback Calculated Property
Cp,gas	662.09	J/mol×K	912.34	Joback Calculated Property
Cp,gas	678.30	J/mol×K	954.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spirafolide.

Sources

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

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