Chemical Properties of GA54, MeTMSi

InChI

InChI=1S/C26H42O6Si2/c1-15-13-25-14-16(15)10-11-17(25)26-19(32-34(7,8)9)12-18(31-33(4,5)6)24(2,23(28)30-26)21(26)20(25)22(27)29-3/h16-21H,1,10-14H2,2-9H3/t16-,17?,18+,19-,20-,21?,24-,25+,26+/m0/s1

InChI Key

GIRWPRDLMDKQLW-OXEYMOECSA-N

Formula

C26H42O6Si2

SMILES

C=C1CC23CC1CCC2C12OC(=O)C(C)(C(O[Si](C)(C)C)CC1O[Si](C)(C)C)C2C3C(=O)OC

Molecular Weight¹

506.78

• 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	0.6723		Relay (... Calculated Property
ΔfG°	-396.29	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1230.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	111.21	kJ/mol	Relay (... Calculated Property
IE	9.07	eV	Relay (... Calculated Property
log10WS	-4.11		Relay (... Calculated Property
logPoct/wat	4.914		Crippen Calculated Property
Pc	92.50	kPa	Relay (... Calculated Property ⚠️
Inp	[2589.00; 2609.00]
Inp	2609.00		NIST
Inp	2593.00		NIST
Inp	2595.00		NIST
Inp	2589.00		NIST
Tboil	686.93	K	Relay (... Calculated Property
Tc	975.39	K	Relay (... Calculated Property
Tfus	367.59	K	Relay (... Calculated Property
Vc	1.497	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA54, 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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