Chemical Properties of GA7-diacid, methyl ester TMS ether

InChI

InChI=1S/C27H44O6Si2/c1-17-15-26-16-18(17)11-12-19(26)27(33-35(8,9)10)14-13-20(32-34(5,6)7)25(2,24(29)31-4)22(27)21(26)23(28)30-3/h13-14,18-22H,1,11-12,15-16H2,2-10H3/t18?,19-,20+,21-,22-,25-,26+,27-/m0/s1

InChI Key

ORTXOSLRHLEBAW-QGPPGHEHSA-N

Formula

C27H44O6Si2

SMILES

C=C1CC23CC1CCC2C1(O[Si](C)(C)C)C=CC(O[Si](C)(C)C)C(C)(C(=O)OC)C1C3C(=O)OC

Molecular Weight¹

520.81

Other Names

• iso-GA7 open lactone, 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	0.6731		Relay (... Calculated Property
ΔfG°	-321.88	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1242.56	kJ/mol	Relay (... Calculated Property
ΔvapH°	110.75	kJ/mol	Relay (... Calculated Property
IE	8.74	eV	Relay (... Calculated Property
log10WS	-4.29		Relay (... Calculated Property
logPoct/wat	5.327		Crippen Calculated Property
Pc	46.44	kPa	Relay (... Calculated Property ⚠️
Inp	[2573.00; 2575.00]
Inp	2573.00		NIST
Inp	2575.00		NIST
Inp	2573.00		NIST
Tboil	673.79	K	Relay (... Calculated Property
Tc	944.40	K	Relay (... Calculated Property
Tfus	367.08	K	Relay (... Calculated Property
Vc	1.518	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA7-diacid, methyl ester TMS ether.

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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