Chemical Properties of [14C1]GA25 methyl ester

InChI

InChI=1S/C23H32O6/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/h14-17H,1,6-12H2,2-5H3

InChI Key

CVVOOYMCPNGYQG-VBYMKQBWSA-N

Formula

C23H32O6

SMILES

C=C1CC23CC1CCC2C1(C(=O)OC)CCCC(C)(C(=O)OC)C1C3C(=O)OC

Molecular Weight¹

404.50

• 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°	-338.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-910.79	kJ/mol	Joback Calculated Property
ΔfusH°	33.09	kJ/mol	Joback Calculated Property
ΔvapH°	90.21	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.291		Crippen Calculated Property
McVol	309.510	ml/mol	McGowan Calculated Property
Pc	1436.98	kPa	Joback Calculated Property
Inp	[2438.00; 2438.00]
Inp	2438.00		NIST
Inp	2438.00		NIST
Tboil	980.15	K	Joback Calculated Property
Tc	1216.30	K	Joback Calculated Property
Tfus	699.31	K	Joback Calculated Property
Vc	1.175	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1147.01; 1375.16]	J/mol×K	[980.15; 1216.30]
Cp,gas	1147.01	J/mol×K	980.15	Joback Calculated Property
Cp,gas	1178.78	J/mol×K	1019.51	Joback Calculated Property
Cp,gas	1212.49	J/mol×K	1058.87	Joback Calculated Property
Cp,gas	1248.56	J/mol×K	1098.23	Joback Calculated Property
Cp,gas	1287.41	J/mol×K	1137.58	Joback Calculated Property
Cp,gas	1329.47	J/mol×K	1176.94	Joback Calculated Property
Cp,gas	1375.16	J/mol×K	1216.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to [14C1]GA25 methyl ester.

Sources

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

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