Chemical Properties of Ginkgoneolic acid (2TMS)

InChI

InChI=1S/C26H48O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(28-30(2,3)4)25(23)26(27)29-31(5,6)7/h19,21-22H,8-18,20H2,1-7H3

InChI Key

ONJPVJJFBTZGQE-UHFFFAOYSA-N

Formula

C26H48O3Si2

SMILES

CCCCCCCCCCCCCc1cccc(O[Si](C)(C)C)c1C(=O)O[Si](C)(C)C

Molecular Weight¹

464.83

• 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	1.1179		Relay (... Calculated Property
ΔfG°	-140.26	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1009.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	109.45	kJ/mol	Relay (... Calculated Property
IE	9.12	eV	Relay (... Calculated Property
log10WS	-7.61		Relay (... Calculated Property
logPoct/wat	8.745		Crippen Calculated Property
Pc	16.04	kPa	Relay (... Calculated Property ⚠️
Inp	[2638.40; 2638.40]
Inp	2638.40		NIST
Inp	2638.40		NIST
Tboil	659.75	K	Relay (... Calculated Property
Tc	861.56	K	Relay (... Calculated Property
Tfus	297.53	K	Relay (... Calculated Property
Vc	1.606	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ginkgoneolic acid (2TMS).

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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