Chemical Properties of GA87, MeTMSi

InChI

InChI=1S/C29H48O7Si3/c1-18-16-27-17-29(18,36-39(10,11)12)21(35-38(7,8)9)15-19(27)28-14-13-20(34-37(4,5)6)26(2,25(31)33-28)23(28)22(27)24(30)32-3/h13-14,19-23H,1,15-17H2,2-12H3/t19?,20-,21-,22+,23?,26+,27-,28+,29-/m1/s1

InChI Key

CODGHIRYLJNHPK-MFBNQEKNSA-N

Formula

C29H48O7Si3

SMILES

C=C1CC23CC1(O[Si](C)(C)C)C(O[Si](C)(C)C)CC2C12C=CC(O[Si](C)(C)C)C(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

592.94

Other Names

• GA87, 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	0.7304		Relay (1.0) Calculated Property
ΔfG°	-464.38	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1460.37	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	110.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-4.02		Relay (1.0) Calculated Property
logPoct/wat	5.664		Crippen Calculated Property
Pc	-312.72	kPa	Relay (1.0-beta) Calculated Property
Inp	[2848.00; 2895.00]
Inp	2848.00		NIST
Inp	2894.00		NIST
Inp	2895.00		NIST
Inp	2865.00		NIST
Inp	2865.00		NIST
Inp	2854.00		NIST
Inp	2853.00		NIST
Tboil	693.28	K	Relay (1.0) Calculated Property
Tc	982.90	K	Relay (1.0) Calculated Property
Tfus	360.79	K	Relay (1.0) Calculated Property
Vc	1.774	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA87, 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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