Chemical Properties of Ginkgolic acid 15:1 (2TMS)

InChI

InChI=1S/C28H50O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26(30-32(2,3)4)27(25)28(29)31-33(5,6)7/h13-14,21,23-24H,8-12,15-20,22H2,1-7H3/b14-13-

InChI Key

IRKUJIMQDGWDQC-YPKPFQOOSA-N

Formula

C28H50O3Si2

SMILES

CCCCCCC=CCCCCCCCc1cccc(O[Si](C)(C)C)c1C(=O)O[Si](C)(C)C

Molecular Weight¹

490.87

• 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	1.1064		Relay (... Calculated Property
ΔfG°	-74.42	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-988.29	kJ/mol	Relay (... Calculated Property
ΔvapH°	115.49	kJ/mol	Relay (... Calculated Property
IE	8.73	eV	Relay (... Calculated Property
log10WS	-7.75		Relay (... Calculated Property
logPoct/wat	9.302		Crippen Calculated Property
Pc	-117.98	kPa	Relay (... Calculated Property ⚠️
Inp	[2824.50; 2824.50]
Inp	2824.50		NIST
Inp	2824.50		NIST
Tboil	677.63	K	Relay (... Calculated Property
Tc	876.12	K	Relay (... Calculated Property
Tfus	286.36	K	Relay (... Calculated Property
Vc	1.655	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ginkgolic acid 15:1 (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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