Chemical Properties of [14C4]GA15 methyl ester TMS ether

InChI

InChI=1S/C21H28O4/c1-12-9-21-10-13(12)5-6-14(21)20-8-4-7-19(2,18(23)25-11-20)16(20)15(21)17(22)24-3/h13-16H,1,4-11H2,2-3H3

InChI Key

SDNANUVFTHNCBP-XDCUROHDSA-N

Formula

C21H28O4

SMILES

C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)OC

Molecular Weight¹

344.44

• 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°	-28.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-556.47	kJ/mol	Joback Calculated Property
ΔfusH°	26.89	kJ/mol	Joback Calculated Property
ΔvapH°	76.42	kJ/mol	Joback Calculated Property
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	3.501		Crippen Calculated Property
McVol	263.030	ml/mol	McGowan Calculated Property
Pc	1812.32	kPa	Joback Calculated Property
Inp	[2608.00; 2608.00]
Inp	2608.00		NIST
Inp	2608.00		NIST
Tboil	887.99	K	Joback Calculated Property
Tc	1139.83	K	Joback Calculated Property
Tfus	649.42	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[954.19; 1165.40]	J/mol×K	[887.99; 1139.83]
Cp,gas	954.19	J/mol×K	887.99	Joback Calculated Property
Cp,gas	983.54	J/mol×K	929.96	Joback Calculated Property
Cp,gas	1014.48	J/mol×K	971.94	Joback Calculated Property
Cp,gas	1047.57	J/mol×K	1013.91	Joback Calculated Property
Cp,gas	1083.38	J/mol×K	1055.88	Joback Calculated Property
Cp,gas	1122.47	J/mol×K	1097.86	Joback Calculated Property
Cp,gas	1165.40	J/mol×K	1139.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to [14C4]GA15 methyl ester TMS ether.

Sources

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

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