Chemical Properties of Ginkgolic acid 17:1 (2TMS)

InChI

InChI=1S/C30H54O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28(32-34(2,3)4)29(27)30(31)33-35(5,6)7/h13-14,23,25-26H,8-12,15-22,24H2,1-7H3/b14-13-

InChI Key

JIARZXCQDXAORZ-YPKPFQOOSA-N

Formula

C30H54O3Si2

SMILES

CCCCCCC=CCCCCCCCCCc1cccc(O[Si](C)(C)C)c1C(=O)O[Si](C)(C)C

Molecular Weight¹

518.92

• 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	1.1799		Relay (... Calculated Property
ΔfG°	-58.51	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1029.28	kJ/mol	Relay (... Calculated Property
ΔvapH°	123.41	kJ/mol	Relay (... Calculated Property
IE	8.80	eV	Relay (... Calculated Property
log10WS	-8.32		Relay (... Calculated Property
logPoct/wat	10.082		Crippen Calculated Property
Pc	-272.62	kPa	Relay (... Calculated Property ⚠️
Inp	[3025.20; 3025.20]
Inp	3025.20		NIST
Inp	3025.20		NIST
Tboil	691.59	K	Relay (... Calculated Property
Tc	890.49	K	Relay (... Calculated Property
Tfus	289.97	K	Relay (... Calculated Property
Vc	1.765	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Ginkgolic acid 17:1 (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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