Chemical Properties of GA79, MeTMSi

InChI

InChI=1S/C29H50O7Si3/c1-17-15-28-16-18(17)13-14-19(28)29-22(20(28)25(30)32-3)27(2,26(31)33-29)23(35-38(7,8)9)21(34-37(4,5)6)24(29)36-39(10,11)12/h18-24H,1,13-16H2,2-12H3/t18-,19?,20-,21-,22?,23+,24-,27+,28+,29-/m0/s1

InChI Key

FNTIFNGWHIDZGQ-JGZPFLERSA-N

Formula

C29H50O7Si3

SMILES

C=C1CC23CC1CCC2C12OC(=O)C(C)(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2C3C(=O)OC

Molecular Weight¹

594.96

• 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	0.7451		Relay (1.0) Calculated Property
ΔfG°	-496.19	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1503.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	113.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	5.744		Crippen Calculated Property
Pc	-374.71	kPa	Relay (1.0-beta) Calculated Property
Inp	[2753.00; 2753.00]
Inp	2753.00		NIST
Inp	2753.00		NIST
Tboil	715.27	K	Relay (1.0) Calculated Property
Tc	996.71	K	Relay (1.0) Calculated Property
Tfus	364.17	K	Relay (1.0) Calculated Property
Vc	1.784	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA79, MeTMSi.

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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