Chemical Properties of [14C4]GA24 methyl ester

InChI

InChI=1S/C22H30O5/c1-13-10-22-11-14(13)6-7-15(22)21(12-23)9-5-8-20(2,19(25)27-4)17(21)16(22)18(24)26-3/h12,14-17H,1,5-11H2,2-4H3

InChI Key

CDZKHHKZGGMPOC-RTOKLNTCSA-N

Formula

C22H30O5

SMILES

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

Molecular Weight¹

374.47

• 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°	-212.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-730.93	kJ/mol	Joback Calculated Property
ΔfusH°	30.00	kJ/mol	Joback Calculated Property
ΔvapH°	85.55	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.317		Crippen Calculated Property
McVol	289.550	ml/mol	McGowan Calculated Property
Pc	1582.23	kPa	Joback Calculated Property
Inp	[2435.00; 2435.00]
Inp	2435.00		NIST
Inp	2435.00		NIST
Tboil	929.64	K	Joback Calculated Property
Tc	1164.39	K	Joback Calculated Property
Tfus	657.88	K	Joback Calculated Property
Vc	1.111	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1041.61; 1247.07]	J/mol×K	[929.64; 1164.39]
Cp,gas	1041.61	J/mol×K	929.64	Joback Calculated Property
Cp,gas	1070.38	J/mol×K	968.77	Joback Calculated Property
Cp,gas	1100.77	J/mol×K	1007.89	Joback Calculated Property
Cp,gas	1133.19	J/mol×K	1047.02	Joback Calculated Property
Cp,gas	1168.10	J/mol×K	1086.14	Joback Calculated Property
Cp,gas	1205.91	J/mol×K	1125.27	Joback Calculated Property
Cp,gas	1247.07	J/mol×K	1164.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to [14C4]GA24 methyl ester.

Sources

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

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