Chemical Properties of GA88, MeTMS

InChI

InChI=1S/C23H32O5Si/c1-13-11-22-12-14(13)7-8-15(22)23-10-9-16(28-29(4,5)6)21(2,20(25)27-23)18(23)17(22)19(24)26-3/h8,14,16-18H,1,7,9-12H2,2-6H3/t14-,16+,17-,18?,21-,22+,23-/m0/s1

InChI Key

QSFNUIZPZNQETN-YAYLXUHMSA-N

Formula

C23H32O5Si

SMILES

C=C1CC23CC1CC=C2C12CCC(O[Si](C)(C)C)C(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

416.58

• 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	0.5691		Relay (1.0) Calculated Property
ΔfG°	-281.88	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-905.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-3.56		Relay (1.0) Calculated Property
logPoct/wat	4.004		Crippen Calculated Property
Pc	646.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[2491.00; 2512.00]
Inp	2512.00		NIST
Inp	2491.00		NIST
Inp	2495.00		NIST
Inp	2512.00		NIST
Tboil	654.83	K	Relay (1.0) Calculated Property
Tc	945.17	K	Relay (1.0) Calculated Property
Tfus	382.78	K	Relay (1.0) Calculated Property
Vc	1.189	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA88, 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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