Chemical Properties of Thromboxane B2, tris-TMS

InChI

InChI=1S/C29H58O6Si3/c1-11-12-15-18-24(33-36(2,3)4)21-22-26-25(27(23-29(31)32-26)34-37(5,6)7)19-16-13-14-17-20-28(30)35-38(8,9)10/h13,16,21-22,24-27,29,31H,11-12,14-15,17-20,23H2,1-10H3/b16-13-,22-21+/t24-,25+,26+,27-,29?/m1/s1

InChI Key

IPOAFSHHUOPOBE-IESNQNSOSA-N

Formula

C29H58O6Si3

SMILES

CCCCCC(C=CC1OC(O)CC(O[Si](C)(C)C)C1CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

587.02

• 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	1.0664		Relay (... Calculated Property
ΔfG°	-342.25	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1673.50	kJ/mol	Relay (... Calculated Property
ΔvapH°	125.29	kJ/mol	Relay (... Calculated Property
IE	8.80	eV	Relay (... Calculated Property
log10WS	-5.03		Relay (... Calculated Property
logPoct/wat	7.781		Crippen Calculated Property
Pc	-600.65	kPa	Relay (... Calculated Property ⚠️
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	697.40	K	Relay (... Calculated Property
Tc	881.14	K	Relay (... Calculated Property
Tfus	346.40	K	Relay (... Calculated Property
Vc	1.860	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Thromboxane B2, tris-TMS.

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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