Chemical Properties of GA51, MeTMS

InChI

InChI=1S/C23H34O5Si/c1-13-9-22-10-14(13)7-8-16(22)23-12-15(28-29(4,5)6)11-21(2,20(25)27-23)18(23)17(22)19(24)26-3/h14-18H,1,7-12H2,2-6H3/t14-,15-,16?,17-,18?,21-,22+,23-/m0/s1

InChI Key

SZCXNKBZPNFVSY-DHKAYQAPSA-N

Formula

C23H34O5Si

SMILES

C=C1CC23CC1CCC2C12CC(O[Si](C)(C)C)CC(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

418.60

Other Names

• GA51 methyl ester TMS ether

• 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	0.6000		Relay (... Calculated Property
ΔfG°	-298.24	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-974.63	kJ/mol	Relay (... Calculated Property
ΔvapH°	107.27	kJ/mol	Relay (... Calculated Property
IE	9.03	eV	Relay (... Calculated Property
log10WS	-3.72		Relay (... Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
Pc	622.44	kPa	Relay (... Calculated Property ⚠️
Inp	[2490.00; 2549.00]
Inp	2538.00		NIST
Inp	2494.00		NIST
Inp	2491.00		NIST
Inp	2492.00		NIST
Inp	2547.00		NIST
Inp	2549.00		NIST
Inp	2519.00		NIST
Inp	2522.00		NIST
Inp	2528.00		NIST
Inp	2532.00		NIST
Inp	2534.00		NIST
Inp	2539.00		NIST
Inp	2490.00		NIST
Inp	2519.00		NIST
Inp	2539.00		NIST
Inp	2538.00		NIST
Inp	2549.00		NIST
Tboil	668.36	K	Relay (... Calculated Property
Tc	949.60	K	Relay (... Calculated Property
Tfus	377.90	K	Relay (... Calculated Property
Vc	1.215	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA51, 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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