Chemical Properties of Polygodial (CAS 6754-20-7)

InChI

InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12?,13?,15-/m0/s1

InChI Key

AZJUJOFIHHNCSV-PIMMBPRGSA-N

Formula

C15H22O2

SMILES

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

Molecular Weight¹

234.33

CAS

6754-20-7

• 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°	-56.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-367.02	kJ/mol	Joback Calculated Property
ΔfusH°	17.43	kJ/mol	Joback Calculated Property
ΔvapH°	60.97	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	3.163		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	2256.81	kPa	Joback Calculated Property
Inp	[1853.00; 1853.00]
Inp	1853.00		NIST
Inp	1853.00		NIST
Tboil	665.76	K	Joback Calculated Property
Tc	894.37	K	Joback Calculated Property
Tfus	417.21	K	Joback Calculated Property
Vc	0.771	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.26; 682.89]	J/mol×K	[665.76; 894.37]
Cp,gas	573.26	J/mol×K	665.76	Joback Calculated Property
Cp,gas	592.88	J/mol×K	703.86	Joback Calculated Property
Cp,gas	611.61	J/mol×K	741.96	Joback Calculated Property
Cp,gas	629.73	J/mol×K	780.06	Joback Calculated Property
Cp,gas	647.48	J/mol×K	818.17	Joback Calculated Property
Cp,gas	665.12	J/mol×K	856.27	Joback Calculated Property
Cp,gas	682.89	J/mol×K	894.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Polygodial.

Sources

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

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