Chemical Properties of GA41, MeTMS

InChI

InChI=1S/C29H50O8Si2/c1-26(37-39(9,10)11)17-28-16-18(26)12-13-19(28)29(25(32)35-5)15-14-20(36-38(6,7)8)27(2,24(31)34-4)22(29)21(28)23(30)33-3/h18-22H,12-17H2,1-11H3/t18-,19?,20+,21-,22?,26-,27-,28-,29-/m0/s1

InChI Key

WKDQMFWJXLOQRE-XAMGILAOSA-N

Formula

C29H50O8Si2

SMILES

COC(=O)C1C2C(C)(C(=O)OC)C(O[Si](C)(C)C)CCC2(C(=O)OC)C2CCC3CC12CC3(C)O[Si](C)(C)C

Molecular Weight¹

582.87

Other Names

• GA41, methyl ester TMS ether

• 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.
• 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	0.8125		Relay (1.0) Calculated Property
ΔfG°	-571.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1675.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	120.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-4.00		Relay (1.0) Calculated Property
logPoct/wat	5.175		Crippen Calculated Property
Inp	[2769.00; 2769.00]
Inp	2769.00		NIST
Inp	2769.00		NIST
Tboil	694.58	K	Relay (1.0) Calculated Property
Tc	983.12	K	Relay (1.0) Calculated Property
Tfus	362.74	K	Relay (1.0) Calculated Property
Vc	1.719	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA41, MeTMS.

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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