Chemical Properties of 2,3,6-Trifluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether

InChI

InChI=1S/C13H16F3NOSi/c1-19(2,8-4-3-7-17)18-9-10-11(14)5-6-12(15)13(10)16/h5-6H,3-4,8-9H2,1-2H3

InChI Key

BNGOIHVERCTHEP-UHFFFAOYSA-N

Formula

C13H16F3NOSi

SMILES

C[Si](C)(CCCC#N)OCc1c(F)ccc(F)c1F

Molecular Weight¹

287.35

• 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	0.6579		Relay (1.0) Calculated Property
ΔfG°	-303.61	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-647.88	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	4.129		Crippen Calculated Property
Pc	1802.58	kPa	Relay (1.0-beta) Calculated Property ⚠️
Inp	[1703.00; 1703.00]
Inp	1703.00		NIST
Inp	1703.00		NIST
Tboil	562.74	K	Relay (1.0) Calculated Property
Tc	772.40	K	Relay (1.0) Calculated Property
Tfus	304.79	K	Relay (1.0) Calculated Property
Vc	0.756	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,3,6-Trifluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether.

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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