Chemical Properties of 4-Chloro-2-nitrobenzyl alcohol, benzyldimethylsilyl ether

InChI

InChI=1S/C16H18ClNO3Si/c1-22(2,12-13-6-4-3-5-7-13)21-11-14-8-9-15(17)10-16(14)18(19)20/h3-10H,11-12H2,1-2H3

InChI Key

HQQCADDRSBEHHZ-UHFFFAOYSA-N

Formula

C16H18ClNO3Si

SMILES

C[Si](C)(Cc1ccccc1)OCc1ccc(Cl)cc1[N+](=O)[O-]

Molecular Weight¹

335.86

• 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	0.6983		Relay (1.0) Calculated Property
ΔfG°	217.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-180.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	4.752		Crippen Calculated Property
Pc	1657.18	kPa	Relay (1.0-beta) Calculated Property
Inp	[2306.00; 2306.00]
Inp	2306.00		NIST
Inp	2306.00		NIST
Tboil	639.68	K	Relay (1.0) Calculated Property
Tc	919.94	K	Relay (1.0) Calculated Property
Tfus	317.44	K	Relay (1.0) Calculated Property
Vc	0.878	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-2-nitrobenzyl alcohol, benzyldimethylsilyl 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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