Chemical Properties of GA113, MeTMS

InChI

InChI=1S/C24H36O5Si/c1-14-11-24-12-15(14)10-16(29-30(4,5)6)18(24)23-9-7-8-22(2,21(26)28-13-23)19(23)17(24)20(25)27-3/h15-19H,1,7-13H2,2-6H3/t15?,16-,17-,18+,19-,22-,23-,24-/m0/s1

InChI Key

DEFMWDBHSXPSNB-NJYVZEDXSA-N

Formula

C24H36O5Si

SMILES

C=C1CC23CC1CC(O[Si](C)(C)C)C2C12CCCC(C)(C(=O)OC1)C2C3C(=O)OC

Molecular Weight¹

432.63

• 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	0.6078		Relay (1.0) Calculated Property
ΔfG°	-253.20	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-990.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-4.21		Relay (1.0) Calculated Property
logPoct/wat	4.331		Crippen Calculated Property
Pc	519.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[2899.00; 2899.00]
Inp	2899.00		NIST
Inp	2899.00		NIST
Inp	2899.00		NIST
Tboil	688.43	K	Relay (1.0) Calculated Property
Tc	968.80	K	Relay (1.0) Calculated Property
Tfus	377.09	K	Relay (1.0) Calculated Property
Vc	1.245	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA113, 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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