Chemical Properties of GA125, MeTMSi

InChI

InChI=1S/C28H46O7Si2/c1-18-15-27-16-28(18,35-37(8,9)10)20(34-36(5,6)7)14-19(27)26(17-29)13-11-12-25(2,24(31)33-4)22(26)21(27)23(30)32-3/h17,19-22H,1,11-16H2,2-10H3/t19-,20-,21+,22+,25+,26+,27-,28-/m1/s1

InChI Key

XVGXTNNHGJFVPZ-LDZNZAOOSA-N

Formula

C28H46O7Si2

SMILES

C=C1CC23CC1(O[Si](C)(C)C)C(O[Si](C)(C)C)CC2C1(C=O)CCCC(C)(C(=O)OC)C1C3C(=O)OC

Molecular Weight¹

550.83

• 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	0.7513		Relay (1.0) Calculated Property
ΔfG°	-413.18	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1400.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	114.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	5.121		Crippen Calculated Property
Pc	82.58	kPa	Relay (1.0-beta) Calculated Property
Inp	[2732.00; 2732.00]
Inp	2732.00		NIST
Inp	2732.00		NIST
Inp	2732.00		NIST
Tboil	695.59	K	Relay (1.0) Calculated Property
Tc	989.09	K	Relay (1.0) Calculated Property
Tfus	353.86	K	Relay (1.0) Calculated Property
Vc	1.601	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA125, 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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