Chemical Properties of GA68, MeTMSi

InChI

InChI=1S/C26H40O6Si2/c1-15-16-10-11-17-25(14-16,21(15)32-34(7,8)9)19(22(27)29-3)20-24(2)18(31-33(4,5)6)12-13-26(17,20)30-23(24)28/h12-13,16-21H,1,10-11,14H2,2-9H3/t16-,17?,18?,19-,20?,21-,24-,25-,26-/m0/s1

InChI Key

MYFUCFBJINCSHG-KSNFEXJQSA-N

Formula

C26H40O6Si2

SMILES

C=C1C2CCC3C45C=CC(O[Si](C)(C)C)C(C)(C(=O)O4)C5C(C(=O)OC)C3(C2)C1O[Si](C)(C)C

Molecular Weight¹

504.76

Other Names

• GA68, MeTMS

• 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	0.6427		Relay (... Calculated Property
ΔfG°	-367.19	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1191.61	kJ/mol	Relay (... Calculated Property
ΔvapH°	107.03	kJ/mol	Relay (... Calculated Property
IE	8.85	eV	Relay (... Calculated Property
log10WS	-3.93		Relay (... Calculated Property
logPoct/wat	4.690		Crippen Calculated Property
Pc	72.34	kPa	Relay (... Calculated Property ⚠️
Inp	[2681.00; 2695.00]
Inp	2695.00		NIST
Inp	2681.00		NIST
Inp	2682.00		NIST
Inp	2694.00		NIST
Tboil	667.72	K	Relay (... Calculated Property
Tc	962.10	K	Relay (... Calculated Property
Tfus	375.99	K	Relay (... Calculated Property
Vc	1.467	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA68, 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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