Chemical Properties of Tetra-N-butylammonium chloride (CAS 1112-67-0)

InChI

InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

InChI Key

NHGXDBSUJJNIRV-UHFFFAOYSA-M

Formula

C16H36ClN

SMILES

CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]

Molecular Weight¹

277.92

CAS

1112-67-0

Other Names

• 1-butanaminium, N,N,N-tributyl-, chloride
• tetrabutylammonium chloride

• 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_fH°_solid : Solid phase 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.
• P_c : Critical Pressure (kPa).
• 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	0.5196		Relay (1.0) Calculated Property
ΔfG°	270.49	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-553.89	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-564.80 ± 3.10	kJ/mol	NIST
ΔvapH°	72.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
Pc	1752.45	kPa	Relay (1.0-beta) Calculated Property
Tboil	579.77	K	Relay (1.0) Calculated Property
Tc	695.55	K	Relay (1.0) Calculated Property
Tfus	[310.00; 342.82]	K
Tfus	342.82	K	Indirect assessment of the fusion properties of choline chloride from solid-liquid equilibria data
Tfus	310.00 ± 1.00	K	NIST
Vc	0.836	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Tetra-N-butylammonium chloride.

Mixtures

• Tetra-N-butylammonium chloride + Water
• Tetra-N-butylammonium chloride + n-Hexane + 1,2-Ethanediol
• Tetra-N-butylammonium chloride + Benzene + 1,2-Ethanediol
• Tetra-N-butylammonium chloride + Choline chloride
• Tetra-N-butylammonium chloride + Potassium carbonate + Water
• Tetra-N-butylammonium chloride + Pentanoic acid, 4-oxo-
• Tetra-N-butylammonium chloride + Pentanoic acid, 4-oxo- + Carbon dioxide
• Tetra-N-butylammonium chloride + Carbon dioxide + n-Decanoic acid
• Tetra-N-butylammonium chloride + 1H-Tetrazole
• Tetra-N-butylammonium chloride + Nitric oxide + 1H-Tetrazole
• Tetra-N-butylammonium chloride + Glycerin
• Tetra-N-butylammonium chloride + Urea
• Tetra-N-butylammonium chloride + 1,2-Ethanediol
• Tetra-N-butylammonium chloride + Propanedioic acid
• Tetra-N-butylammonium chloride + Triethylene glycol

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.
• Indirect assessment of the fusion properties of choline chloride from solid-liquid equilibria data
• Phase diagrams of ionic liquids-based aqueous biphasic systems as a platform for extraction processes
• Investigation of solubilities of carbon dioxide in five levulinic acid-based deep eutectic solvents and their thermodynamic properties
• Experimental determination of the LLE data of systems consisting of {hexane + benzene + deep eutectic solvent} and prediction using the Conductor-like Screening Model for Real Solvents
• Salting-in and salting-out effects of organic and inorganic ammonium salts on the aqueous polymer solutions
• Molar Heat Capacity of Selected Type III Deep Eutectic Solvents
• Excess Molar Enthalpies of Deep Eutectic Solvents (DESs) Composed of Quaternary Ammonium Salts and Glycerol or Ethylene Glycol
• Carbon Dioxide Solubilities in Decanoic Acid-Based Hydrophobic Deep Eutectic Solvents
• Efficient and Reversible Nitric Oxide Absorption by Low-Viscosity, Azole-Derived Deep Eutectic Solvents
• Tetrabutylammonium Chloride Based Ionic Liquid Analogues and Their Physical Properties
• NIST Webbook

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