Chemical Properties of Tributylamine (CAS 102-82-9)

InChI

InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3

InChI Key

IMFACGCPASFAPR-UHFFFAOYSA-N

Formula

C12H27N

SMILES

CCCCN(CCCC)CCCC

Molecular Weight¹

185.35

CAS

102-82-9

Other Names

• (n-C4H9)3N
• 1-butanamine, N,N-dibutyl-
• N,N-dibutyl-1-butanamine
• Tributilamina
• Tris[N-butylamine]
• UN 2542
• tri-n-butylamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5753		Relay (1.0) Calculated Property
PAff	998.50	kJ/mol	NIST
BasG	967.60	kJ/mol	NIST
ΔcH°liquid	-8299.20 ± 1.10	kJ/mol	NIST
μ	0.80	debye	KDB
ΔfG°	160.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-233.29	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-281.80 ± 1.10	kJ/mol	NIST
ΔfusH°	29.86	kJ/mol	Joback Calculated Property
ΔvapH°	62.70 ± 1.30	kJ/mol	NIST
IE	[7.00; 7.86]	eV
IE	7.40	eV	NIST
IE	7.00 ± 0.10	eV	NIST
IE	7.86	eV	NIST
log10WS	-3.12		Aq. Solubility Prediction
logPoct/wat	3.689		Crippen Calculated Property
McVol	189.920	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
Pc	1820.00	kPa	KDB
Inp	[1163.00; 1228.00]
Inp	1171.00		NIST
Inp	1228.00		NIST
Inp	1228.00		NIST
Inp	1226.00		NIST
Inp	1166.00		NIST
Inp	1163.00		NIST
Inp	1192.00		NIST
Inp	1195.00		NIST
Inp	1189.00		NIST
Inp	1192.00		NIST
I	[1206.00; 1226.00]
I	1225.00		NIST
I	1220.00		NIST
I	1226.00		NIST
I	1220.00		NIST
I	1215.00		NIST
I	1211.00		NIST
I	1206.00		NIST
I	1207.00		NIST
I	1206.00		NIST
Tboil	[451.65; 489.20]	K
Tboil	486.60	K	KDB
Tboil	489.20	K	NIST
Tboil	487.15 ± 3.00	K	NIST
Tboil	487.15 ± 1.00	K	NIST
Tboil	484.65 ± 3.00	K	NIST
Tboil	485.65 ± 3.00	K	NIST
Tboil	485.15 ± 3.00	K	NIST
Tboil	485.15 ± 3.00	K	NIST
Tboil	486.15 ± 3.00	K	NIST
Tboil	Outlier 451.65 ± 4.00	K	NIST
Tc	643.00	K	KDB
Tfus	192.73	K	Relay (1.0) Calculated Property
Vc	0.717	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[441.92; 536.45]	J/mol×K	[486.40; 646.21]
Cp,gas	441.92	J/mol×K	486.40	Joback Calculated Property
Cp,gas	459.32	J/mol×K	513.04	Joback Calculated Property
Cp,gas	476.04	J/mol×K	539.67	Joback Calculated Property
Cp,gas	492.09	J/mol×K	566.31	Joback Calculated Property
Cp,gas	507.50	J/mol×K	592.94	Joback Calculated Property
Cp,gas	522.28	J/mol×K	619.58	Joback Calculated Property
Cp,gas	536.45	J/mol×K	646.21	Joback Calculated Property
η	[0.0009700; 0.0011670]	Pa×s	[303.15; 313.15]
η	0.0011670	Pa×s	303.15	Studies of viscosities of dilute solutions of alkylamine in non-electrolyte solvents. II. Haloalkanes and other polar solvents
η	0.0009700	Pa×s	313.15	Studies of viscosities of dilute solutions of alkylamine in non-electrolyte solvents. II. Haloalkanes and other polar solvents
ΔvapH	[48.10; 64.40]	kJ/mol	[298.00; 460.00]
ΔvapH	58.00	kJ/mol	298.00	Evaluation of the Vaporization Enthalpies and Liquid Vapor Pressures of (R)-Deprenyl, (S)-Benzphetamine, Alverine, and a Series of Aliphatic Tertiary Amines by Correlation Gas Chromatography at T/K = 298.15
ΔvapH	62.70	kJ/mol	298.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
ΔvapH	64.40	kJ/mol	317.50	NIST
ΔvapH	48.10	kJ/mol	410.00	NIST
ΔvapH	49.90	kJ/mol	460.00	NIST
n0	[1.41880; 1.42760]		[293.15; 318.15]
n0	1.42590		293.15	Volumetric properties of binary mixtures of tributylamine with benzene derivatives and comparison with ERAS model results at temperatures from (293.15 to 333.15) K
n0	1.42760		298.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Tri-n-butylamine + Triethylamine, + Tetrahydrofuran, + Tetradecane, + Tetrachloroethylene, + Pyridine, or + Trichloroethylene at (298.15, 303.15, and 308.15) K
n0	1.42740		298.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethanediol, + Hexane, + Tributylamine, or + Triethylamine at (298.15, 303.15, and 308.15) K
n0	1.42740		298.15	Densities and Refractive Indices of Binary Mixtures of Benzene with Triethylamine and Tributylamine at Different Temperatures
n0	1.42590		303.15	Densities and Refractive Indices of Binary Mixtures of Benzene with Triethylamine and Tributylamine at Different Temperatures
n0	1.42510		303.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethanediol, + Hexane, + Tributylamine, or + Triethylamine at (298.15, 303.15, and 308.15) K
n0	1.42550		303.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Tri-n-butylamine + Triethylamine, + Tetrahydrofuran, + Tetradecane, + Tetrachloroethylene, + Pyridine, or + Trichloroethylene at (298.15, 303.15, and 308.15) K
n0	1.42540		303.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Tri-n-butylamine + Triethylamine, + Tetrahydrofuran, + Tetradecane, + Tetrachloroethylene, + Pyridine, or + Trichloroethylene at (298.15, 303.15, and 308.15) K
n0	1.42310		308.15	Densities and Refractive Indices of Binary Mixtures of Benzene with Triethylamine and Tributylamine at Different Temperatures
n0	1.42260		308.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethanediol, + Hexane, + Tributylamine, or + Triethylamine at (298.15, 303.15, and 308.15) K
n0	1.42280		308.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Tri-n-butylamine + Triethylamine, + Tetrahydrofuran, + Tetradecane, + Tetrachloroethylene, + Pyridine, or + Trichloroethylene at (298.15, 303.15, and 308.15) K
n0	1.42100		313.15	Densities and Refractive Indices of Binary Mixtures of Benzene with Triethylamine and Tributylamine at Different Temperatures
n0	1.41880		318.15	Densities and Refractive Indices of Binary Mixtures of Benzene with Triethylamine and Tributylamine at Different Temperatures
ρl	[762.06; 782.30]	kg/m3	[293.00; 313.15]
ρl	779.00	kg/m3	293.00	KDB
ρl	777.01	kg/m3	293.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	777.01	kg/m3	293.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	782.30	kg/m3	293.20	Modeling extraction equilibria of butyric acid distributed between water and tri-n-butyl amine/diluent or tri-n-butyl phosphate/diluent system: Extension of the LSER approach
ρl	773.56	kg/m3	298.15	Volumetric, acoustic, viscometric, and spectroscopic properties for binary properties for binary mixtures of alkoxypropanol with mono, di-, and tri- alkylamines at a temperature of 298.15K
ρl	773.30	kg/m3	298.15	Partial molar volume of tertiary amines in methanol at T = 298.15 K. Solvation, shape and specific interactions
ρl	773.28	kg/m3	298.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	773.28	kg/m3	298.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	769.55	kg/m3	303.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	769.55	kg/m3	303.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	770.21	kg/m3	303.15	Studies of viscosities of dilute solutions of alkylamines in non-electrolyte solvents III. Alkylamines in butanols 303.15K
ρl	770.21	kg/m3	303.15	Studies of partial molar volumes of alkylamine in non-electrolyte solvents I. Alkylamines in hydrocarbons at 303.15 and 313.15K
ρl	765.81	kg/m3	308.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	765.81	kg/m3	308.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	762.06	kg/m3	313.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	762.06	kg/m3	313.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	763.11	kg/m3	313.15	Studies of partial molar volumes of alkylamine in non-electrolyte solvents I. Alkylamines in hydrocarbons at 303.15 and 313.15K
csound,fluid	[1210.42; 1285.04]	m/s	[288.15; 308.15]
csound,fluid	1285.04	m/s	288.15	Volumetric and Acoustic Properties for Binary Mixtures of Dipropylene Glycol Monopropyl Ether with Alkylamines at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1285.04	m/s	288.15	Densities, Excess Molar Volumes, Speeds of Sound, and Isothermal Compressibilities for 2-(2-Hexyloxyethoxy)ethanol + n-Alkylamine at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1266.37	m/s	293.15	Volumetric and Acoustic Properties for Binary Mixtures of Dipropylene Glycol Monopropyl Ether with Alkylamines at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1266.37	m/s	293.15	Densities, Excess Molar Volumes, Speeds of Sound, and Isothermal Compressibilities for 2-(2-Hexyloxyethoxy)ethanol + n-Alkylamine at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1247.64	m/s	298.15	Volumetric and Acoustic Properties for Binary Mixtures of Dipropylene Glycol Monopropyl Ether with Alkylamines at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1247.64	m/s	298.15	Densities, Excess Molar Volumes, Speeds of Sound, and Isothermal Compressibilities for 2-(2-Hexyloxyethoxy)ethanol + n-Alkylamine at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1228.98	m/s	303.15	Volumetric and Acoustic Properties for Binary Mixtures of Dipropylene Glycol Monopropyl Ether with Alkylamines at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1228.98	m/s	303.15	Densities, Excess Molar Volumes, Speeds of Sound, and Isothermal Compressibilities for 2-(2-Hexyloxyethoxy)ethanol + n-Alkylamine at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1210.42	m/s	308.15	Volumetric and Acoustic Properties for Binary Mixtures of Dipropylene Glycol Monopropyl Ether with Alkylamines at Temperatures Between 288.15 K and 308.15 K
csound,fluid	1210.42	m/s	308.15	Densities, Excess Molar Volumes, Speeds of Sound, and Isothermal Compressibilities for 2-(2-Hexyloxyethoxy)ethanol + n-Alkylamine at Temperatures Between 288.15 K and 308.15 K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	364.70	K	1.00	NIST

Datasets

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
303.15	101.33	0.0012
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[371.72; 505.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64228e+01
Coefficient B			-4.76217e+03
Coefficient C			-7.65780e+01
Temperature range, min.			371.72
Temperature range, max.			505.17
Pvap	1.33	kPa	371.72	Calculated Property
Pvap	2.88	kPa	386.55	Calculated Property
Pvap	5.82	kPa	401.38	Calculated Property
Pvap	11.03	kPa	416.20	Calculated Property
Pvap	19.84	kPa	431.03	Calculated Property
Pvap	34.02	kPa	445.86	Calculated Property
Pvap	55.97	kPa	460.69	Calculated Property
Pvap	88.73	kPa	475.51	Calculated Property
Pvap	136.10	kPa	490.34	Calculated Property
Pvap	202.67	kPa	505.17	Calculated Property
Pvap	[2.57e-08; 1679.18]	kPa	[203.00; 644.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.39611e+02
Coefficient B			-1.26026e+04
Coefficient C			-1.79458e+01
Coefficient D			8.32364e-06
Temperature range, min.			203.00
Temperature range, max.			644.00
Pvap	2.57e-08	kPa	203.00	Calculated Property
Pvap	1.12e-04	kPa	252.00	Calculated Property
Pvap	0.02	kPa	301.00	Calculated Property
Pvap	0.61	kPa	350.00	Calculated Property
Pvap	6.52	kPa	399.00	Calculated Property
Pvap	36.44	kPa	448.00	Calculated Property
Pvap	133.19	kPa	497.00	Calculated Property
Pvap	367.02	kPa	546.00	Calculated Property
Pvap	836.58	kPa	595.00	Calculated Property
Pvap	1679.18	kPa	644.00	Calculated Property

Similar Compounds

Find more compounds similar to Tributylamine.

Mixtures

• Tributylamine + 1,4-Dioxane
• Tributylamine + Tetrahydrofuran
• Tributylamine + Cyclohexane
• 1-Propanol + Tributylamine
• 1-Propanol + Tributylamine + Cyclohexane
• 1-Butanol + Tributylamine
• n-Hexane + Tributylamine
• n-Hexane + 1-Butanol + Tributylamine
• Trichloromethane + Tributylamine
• Tributylamine + Methyl Alcohol
• Tributylamine + Heptane
• Toluene + Tributylamine
• Tributylamine + Benzene, ethyl-
• Tributylamine + o-Xylene
• Benzene, 1,3-dimethyl- + Tributylamine
• p-Xylene + Tributylamine
• Benzene, nitro- + Tributylamine
• Benzene + Tributylamine
• Tributylamine + 1-(1-methyl-2-propoxyethoxy)-2-propanol
• Tributylamine + Diethylene glycol hexyl ether

Find more mixtures with Tributylamine.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Densities and Refractive Indices of Binary Mixtures of Benzene with Triethylamine and Tributylamine at Different Temperatures
• Volumetric and Acoustic Properties for Binary Mixtures of Dipropylene Glycol Monopropyl Ether with Alkylamines at Temperatures Between 288.15 K and 308.15 K
• Modeling extraction equilibria of butyric acid distributed between water and tri-n-butyl amine/diluent or tri-n-butyl phosphate/diluent system: Extension of the LSER approach
• Excess molar volumes and excess molar enthalpies of binary and ternary mixtures of 1-butanol, a tertiary amine (tri-n-butylamine or tri-n-octylamine) and n-hexane: Experimental results and ERAS-model calculations
• Volumetric, acoustic, viscometric, and spectroscopic properties for binary properties for binary mixtures of alkoxypropanol with mono, di-, and tri- alkylamines at a temperature of 298.15K
• Thermodynamic study of (heptane + amine) mixtures. III: Excess and partial molar volumes in mixtures with secondary, tertiary, and cyclic amines at 298.15 K
• Volumetric properties of binary mixtures of tributylamine with benzene derivatives and comparison with ERAS model results at temperatures from (293.15 to 333.15) K
• Partial molar volume of tertiary amines in methanol at T = 298.15 K. Solvation, shape and specific interactions
• Studies of viscosities of dilute solutions of alkylamine in non-electrolyte solvents. II. Haloalkanes and other polar solvents
• Studies of partial molar volumes of alkylamine in non-electrolyte solvents I. Alkylamines in hydrocarbons at 303.15 and 313.15K
• Volumetric and transport properties of ternary mixtures containing 1-propanol, triethylamine or tri-n-butylamine and cyclohexane at 303.15 K: Experimental data, correlation and prediction by ERAS model
• Studies of viscosities of dilute solutions of alkylamines in non-electrolyte solvents III. Alkylamines in butanols 303.15K
• Studies of viscosities of dilute solutions of alkylamines in non-electrolyte solvents: IV. Alkylamines in 1,4-dioxane and oxolane at 303.15K
• Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
• Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
• Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
• Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethanediol, + Hexane, + Tributylamine, or + Triethylamine at (298.15, 303.15, and 308.15) K
• Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of Tri-n-butylamine + Triethylamine, + Tetrahydrofuran, + Tetradecane, + Tetrachloroethylene, + Pyridine, or + Trichloroethylene at (298.15, 303.15, and 308.15) K
• Evaluation of the Vaporization Enthalpies and Liquid Vapor Pressures of (R)-Deprenyl, (S)-Benzphetamine, Alverine, and a Series of Aliphatic Tertiary Amines by Correlation Gas Chromatography at T/K = 298.15
• Densities, Excess Molar Volumes, Speeds of Sound, and Isothermal Compressibilities for 2-(2-Hexyloxyethoxy)ethanol + n-Alkylamine at Temperatures Between 288.15 K and 308.15 K
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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