Chemical Properties of GA91, MeTMS

InChI

InChI=1S/C29H50O7Si3/c1-18-15-27-17-28(18,36-39(10,11)12)14-13-20(27)29-22(21(27)24(30)32-3)26(2,25(31)33-29)16-19(34-37(4,5)6)23(29)35-38(7,8)9/h19-23H,1,13-17H2,2-12H3/t19-,20-,21-,22-,23-,26-,27+,28+,29-/m0/s1

InChI Key

ZPNMKISCNSJXSD-SQNIRPPOSA-N

Formula

C29H50O7Si3

SMILES

C=C1CC23CC1(O[Si](C)(C)C)CCC2C12OC(=O)C(C)(CC(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	0.7632		Relay (... Calculated Property
ΔfG°	-497.45	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1510.39	kJ/mol	Relay (... Calculated Property
ΔvapH°	111.91	kJ/mol	Relay (... Calculated Property
IE	9.02	eV	Relay (... Calculated Property
log10WS	-4.06		Relay (... Calculated Property
logPoct/wat	5.888		Crippen Calculated Property
Pc	-302.70	kPa	Relay (... Calculated Property ⚠️
Inp	[2736.00; 2739.00]
Inp	2736.00		NIST
Inp	2738.00		NIST
Inp	2738.00		NIST
Inp	2739.00		NIST
Inp	2738.00		NIST
Tboil	708.95	K	Relay (... Calculated Property
Tc	995.92	K	Relay (... Calculated Property
Tfus	359.18	K	Relay (... Calculated Property
Vc	1.804	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA91, 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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