Chemical Properties of [14C4]GA9 methyl ester

InChI

InChI=1S/C20H26O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h12-15H,1,4-10H2,2-3H3

InChI Key

GKRMJALKMNRHGF-JZOUMDNASA-N

Formula

C20H26O4

SMILES

C=C1CC23CC1CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

330.42

• 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°	-24.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-529.67	kJ/mol	Joback Calculated Property
ΔfusH°	26.40	kJ/mol	Joback Calculated Property
ΔvapH°	74.02	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen Calculated Property
logPoct/wat	3.254		Crippen Calculated Property
McVol	248.940	ml/mol	McGowan Calculated Property
Pc	1927.05	kPa	Joback Calculated Property
Inp	[2302.00; 2302.00]
Inp	2302.00		NIST
Inp	2302.00		NIST
Tboil	860.84	K	Joback Calculated Property
Tc	1110.66	K	Joback Calculated Property
Tfus	641.67	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.72; 1080.84]	J/mol×K	[860.84; 1110.66]
Cp,gas	885.72	J/mol×K	860.84	Joback Calculated Property
Cp,gas	912.88	J/mol×K	902.48	Joback Calculated Property
Cp,gas	941.45	J/mol×K	944.11	Joback Calculated Property
Cp,gas	971.97	J/mol×K	985.75	Joback Calculated Property
Cp,gas	1005.00	J/mol×K	1027.39	Joback Calculated Property
Cp,gas	1041.11	J/mol×K	1069.03	Joback Calculated Property
Cp,gas	1080.84	J/mol×K	1110.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to [14C4]GA9 methyl ester.

Sources

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

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