Chemical Properties of 1,7-Di(2-bromo-4-fluorophenyl)-2,2,4,4,6,6-hexamethyl-1,3,5,7-tetraoxa-2,4,6-trisilaheptane

InChI

InChI=1S/C18H24Br2F2O4Si3/c1-27(2,23-17-9-7-13(21)11-15(17)19)25-29(5,6)26-28(3,4)24-18-10-8-14(22)12-16(18)20/h7-12H,1-6H3

InChI Key

MVTBWKDGWJEBHM-UHFFFAOYSA-N

Formula

C18H24Br2F2O4Si3

SMILES

C[Si](C)(Oc1ccc(F)cc1Br)O[Si](C)(C)O[Si](C)(C)Oc1ccc(F)cc1Br

Molecular Weight¹

586.44

• 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	0.7907		Relay (... Calculated Property
ΔfG°	-527.61	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1184.68	kJ/mol	Relay (... Calculated Property
ΔvapH°	88.88	kJ/mol	Relay (... Calculated Property
IE	8.90	eV	Relay (... Calculated Property
log10WS	-6.64		Relay (... Calculated Property
logPoct/wat	7.086		Crippen Calculated Property
Pc	889.51	kPa	Relay (... Calculated Property ⚠️
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST
Tboil	635.00	K	Relay (... Calculated Property
Tc	861.10	K	Relay (... Calculated Property
Tfus	335.15	K	Relay (... Calculated Property
Vc	1.323	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1,7-Di(2-bromo-4-fluorophenyl)-2,2,4,4,6,6-hexamethyl-1,3,5,7-tetraoxa-2,4,6-trisilaheptane.

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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