Chemical Properties of GA45, MeTMS

InChI

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

InChI Key

OUPGAIZPZYZAME-OEVRTZMNSA-N

Formula

C23H34O5Si

SMILES

C=C1C2CCC3C45CCCC(C)(C(=O)O4)C5C(C(=O)OC)C3(C2)C1O[Si](C)(C)C

Molecular Weight¹

418.60

• 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	0.5986		Relay (1.0) Calculated Property
ΔfG°	-316.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-993.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	105.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
Pc	598.16	kPa	Relay (1.0-beta) Calculated Property
Inp	[2476.00; 2499.00]
Inp	2499.00		NIST
Inp	2484.00		NIST
Inp	2485.00		NIST
Inp	2476.00		NIST
Tboil	660.18	K	Relay (1.0) Calculated Property
Tc	949.23	K	Relay (1.0) Calculated Property
Tfus	374.16	K	Relay (1.0) Calculated Property
Vc	1.207	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA45, 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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