Chemical Properties of 2,5-Difluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether

InChI

InChI=1S/C13H17F2NOSi/c1-18(2,8-4-3-7-16)17-10-11-9-12(14)5-6-13(11)15/h5-6,9H,3-4,8,10H2,1-2H3

InChI Key

IUBUSFNLZPZGAR-UHFFFAOYSA-N

Formula

C13H17F2NOSi

SMILES

C[Si](C)(CCCC#N)OCc1cc(F)ccc1F

Molecular Weight¹

269.36

• 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	0.6410		Relay (1.0) Calculated Property
ΔfG°	-141.12	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-501.87	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	3.990		Crippen Calculated Property
Pc	1852.96	kPa	Relay (1.0-beta) Calculated Property ⚠️
Inp	[1712.00; 1712.00]
Inp	1712.00		NIST
Inp	1712.00		NIST
Tboil	565.09	K	Relay (1.0) Calculated Property
Tc	784.42	K	Relay (1.0) Calculated Property
Tfus	294.35	K	Relay (1.0) Calculated Property
Vc	0.747	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Difluorobenzyl 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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