Chemical Properties of GA59, MeTMS

InChI

InChI=1S/C24H32O7Si/c1-14-12-21-13-22(14,31-32(4,5)6)11-8-15(21)24-10-7-9-23(19(26)29-3,20(27)30-24)17(24)16(21)18(25)28-2/h7,9,15-17H,1,8,10-13H2,2-6H3/t15?,16-,17?,21+,22+,23-,24-/m0/s1

InChI Key

HMXZVSNGMNIJLQ-WOKNWTBISA-N

Formula

C24H32O7Si

SMILES

C=C1CC23CC1(O[Si](C)(C)C)CCC2C12CC=CC(C(=O)OC)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

460.59

• 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	0.6382		Relay (... Calculated Property
ΔfG°	-482.74	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1207.37	kJ/mol	Relay (... Calculated Property
ΔvapH°	109.35	kJ/mol	Relay (... Calculated Property
IE	9.05	eV	Relay (... Calculated Property
log10WS	-3.38		Relay (... Calculated Property
logPoct/wat	3.157		Crippen Calculated Property
Pc	496.05	kPa	Relay (... Calculated Property ⚠️
Inp	[2727.00; 2727.00]
Inp	2727.00		NIST
Inp	2727.00		NIST
Inp	2727.00		NIST
Tboil	668.55	K	Relay (... Calculated Property
Tc	968.81	K	Relay (... Calculated Property
Tfus	376.38	K	Relay (... Calculated Property
Vc	1.264	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA59, 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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