Chemical Properties of [14C] GA25 16«alpha», 17-H2, 17-OH , methyl ester

InChI

InChI=1S/C23H34O6/c1-13-11-22-12-14(13)7-8-15(22)23(20(26)29-5)10-6-9-21(2,19(25)28-4)17(23)16(22)18(24)27-3/h13-17H,6-12H2,1-5H3/t13-,14?,15-,16-,17-,21-,22+,23-/m0/s1

InChI Key

UXXGYXYHILQJBU-UMFNCLRBSA-N

Formula

C23H34O6

SMILES

COC(=O)C1C2C(C)(C(=O)OC)CCCC2(C(=O)OC)C2CCC3CC12CC3C

Molecular Weight¹

406.51

• 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°	-399.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1015.37	kJ/mol	Joback Calculated Property
ΔfusH°	35.32	kJ/mol	Joback Calculated Property
ΔvapH°	89.74	kJ/mol	Joback Calculated Property
log10WS	-3.68		Crippen Calculated Property
logPoct/wat	3.370		Crippen Calculated Property
McVol	313.810	ml/mol	McGowan Calculated Property
Pc	1381.96	kPa	Joback Calculated Property
Inp	[2738.00; 2760.00]
Inp	2738.00		NIST
Inp	2760.00		NIST
Inp	2738.00		NIST
Tboil	976.32	K	Joback Calculated Property
Tc	1211.33	K	Joback Calculated Property
Tfus	681.39	K	Joback Calculated Property
Vc	1.190	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1182.09; 1410.38]	J/mol×K	[976.32; 1211.33]
Cp,gas	1182.09	J/mol×K	976.32	Joback Calculated Property
Cp,gas	1214.32	J/mol×K	1015.49	Joback Calculated Property
Cp,gas	1248.32	J/mol×K	1054.66	Joback Calculated Property
Cp,gas	1284.51	J/mol×K	1093.82	Joback Calculated Property
Cp,gas	1323.30	J/mol×K	1132.99	Joback Calculated Property
Cp,gas	1365.12	J/mol×K	1172.16	Joback Calculated Property
Cp,gas	1410.38	J/mol×K	1211.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to [14C] GA25 16«alpha», 17-H2, 17-OH , methyl ester.

Sources

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

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