Chemical Properties of Cortol (CAS 516-38-1)

InChI

InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14?,15?,16+,17?,18?,19+,20+,21+/m0/s1

InChI Key

FFPUNPBUZDTHJI-GBBLGXTESA-N

Formula

C21H36O5

SMILES

CC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO

Molecular Weight¹

368.51

CAS

516-38-1

• 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

Property	Value	Unit	Source
ΔfG°	-433.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1038.78	kJ/mol	Joback Calculated Property
ΔfusH°	35.56	kJ/mol	Joback Calculated Property
ΔvapH°	140.86	kJ/mol	Joback Calculated Property
log10WS	-3.51		Crippen Calculated Property
logPoct/wat	1.445		Crippen Calculated Property
McVol	292.660	ml/mol	McGowan Calculated Property
Pc	2161.32	kPa	Joback Calculated Property
Inp	[3130.00; 3130.00]
Inp	3130.00		NIST
Inp	3130.00		NIST
Tboil	1166.02	K	Joback Calculated Property
Tc	1451.99	K	Joback Calculated Property
Tfus	720.19	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1343.94; 1809.81]	J/mol×K	[1166.02; 1451.99]
Cp,gas	1343.94	J/mol×K	1166.02	Joback Calculated Property
Cp,gas	1402.37	J/mol×K	1213.68	Joback Calculated Property
Cp,gas	1467.38	J/mol×K	1261.34	Joback Calculated Property
Cp,gas	1539.78	J/mol×K	1309.01	Joback Calculated Property
Cp,gas	1620.43	J/mol×K	1356.67	Joback Calculated Property
Cp,gas	1710.16	J/mol×K	1404.33	Joback Calculated Property
Cp,gas	1809.81	J/mol×K	1451.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cortol.

Sources

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

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