Chemical Properties of ent-Kaurenoic acid, 16,17-dlhydro, 7«alpha», 16«beta»,17-triol, Me

InChI

InChI=1S/C21H34O5/c1-18-7-4-8-19(2,17(24)26-3)15(18)9-16(23)20-10-13(5-6-14(18)20)21(25,11-20)12-22/h13-16,22-23,25H,4-12H2,1-3H3/t13-,14?,15?,16+,18+,19-,20-,21-/m0/s1

InChI Key

PSHLENOGNSMWIY-CAOQSYSXSA-N

Formula

C21H34O5

SMILES

COC(=O)C1(C)CCCC2(C)C1CC(O)C13CC(CCC21)C(O)(CO)C3

Molecular Weight¹

366.49

• 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°	-376.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-932.10	kJ/mol	Joback Calculated Property
ΔfusH°	28.43	kJ/mol	Joback Calculated Property
ΔvapH°	116.03	kJ/mol	Joback Calculated Property
log10WS	-3.62		Crippen Calculated Property
logPoct/wat	2.266		Crippen Calculated Property
McVol	288.360	ml/mol	McGowan Calculated Property
Pc	1985.89	kPa	Joback Calculated Property
Inp	[2860.00; 2860.00]
Inp	2860.00		NIST
Inp	2860.00		NIST
Tboil	1059.03	K	Joback Calculated Property
Tc	1296.55	K	Joback Calculated Property
Tfus	717.37	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1208.26; 1559.02]	J/mol×K	[1059.03; 1296.55]
Cp,gas	1208.26	J/mol×K	1059.03	Joback Calculated Property
Cp,gas	1253.33	J/mol×K	1098.62	Joback Calculated Property
Cp,gas	1302.99	J/mol×K	1138.20	Joback Calculated Property
Cp,gas	1357.80	J/mol×K	1177.79	Joback Calculated Property
Cp,gas	1418.36	J/mol×K	1217.38	Joback Calculated Property
Cp,gas	1485.24	J/mol×K	1256.97	Joback Calculated Property
Cp,gas	1559.02	J/mol×K	1296.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to ent-Kaurenoic acid, 16,17-dlhydro, 7«alpha», 16«beta»,17-triol, Me.

Sources

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

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