Chemical Properties of GA20 ethyl ester, TMS

InChI

InChI=1S/C24H36O5Si/c1-7-27-19(25)17-18-21(3)10-8-11-24(18,28-20(21)26)16-9-12-23(29-30(4,5)6)14-22(16,17)13-15(23)2/h16-18H,2,7-14H2,1,3-6H3/t16-,17-,18-,21-,22+,23+,24-/m0/s1

InChI Key

UJGBPMZRWPCHOF-LEWAGNQXSA-N

Formula

C24H36O5Si

SMILES

C=C1CC23CC1(O[Si](C)(C)C)CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)OCC

Molecular Weight¹

432.63

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• 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
ω	0.6440		Relay (1.0) Calculated Property
ΔfG°	-346.37	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1018.56	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	108.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) Calculated Property
logPoct/wat	4.618		Crippen Calculated Property
Pc	591.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[2619.00; 2620.00]
Inp	2619.00		NIST
Inp	2619.00		NIST
Inp	2620.00		NIST
Tboil	676.01	K	Relay (1.0) Calculated Property
Tc	957.42	K	Relay (1.0) Calculated Property
Tfus	369.80	K	Relay (1.0) Calculated Property
Vc	1.283	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA20 ethyl ester, TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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