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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8752		Relay (... Calculated Property
ΔfG°	-376.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-951.97	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.43	kJ/mol	Joback Calculated Property
ΔvapH°	159.51	kJ/mol	Relay (... Calculated Property
IE	9.02	eV	Relay (... Calculated Property
log10WS	-3.51		Relay (... 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	666.88	K	Relay (... Calculated Property
Tc	994.05	K	Relay (... Calculated Property
Tfus	422.28	K	Relay (... Calculated Property
Vc	1.060	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.