Chemical Properties of 1-Octanamine, N,N-dioctyl- (CAS 1116-76-3)

InChI

InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

InChI Key

XTAZYLNFDRKIHJ-UHFFFAOYSA-N

Formula

C24H51N

SMILES

CCCCCCCCN(CCCCCCCC)CCCCCCCC

Molecular Weight¹

353.67

CAS

1116-76-3

Other Names

• 336S
• Alamine 308
• Alamine 336
• Alamine 3365
• Alamine 336S
• Farmin 08
• N,N-dioctyl-1-octanamine
• NSC 11034
• TOA
• Tri-N-caprylylamine
• Tri-n-octylamine
• Tricaprylamine
• Tricaprylylamine
• Trioctylamine

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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	0.9937		Relay (1.0) Calculated Property
ΔcH°liquid	[-16147.90; -16145.40]	kJ/mol
ΔcH°liquid	-16145.40 ± 3.60	kJ/mol	NIST
ΔcH°liquid	-16147.90 ± 2.10	kJ/mol	NIST
ΔfG°	261.98	kJ/mol	Joback Calculated Property
ΔfH°gas	[-477.00; -474.80]	kJ/mol
ΔfH°gas	-477.00 ± 15.00	kJ/mol	NIST
ΔfH°gas	-474.80	kJ/mol	NIST
ΔfH°liquid	[-587.50; -585.30]	kJ/mol
ΔfH°liquid	-587.50 ± 3.80	kJ/mol	NIST
ΔfH°liquid	-585.30 ± 2.10	kJ/mol	NIST
ΔfusH°	60.94	kJ/mol	Joback Calculated Property
ΔvapH°	[110.00; 110.50]	kJ/mol
ΔvapH°	110.00 ± 15.00	kJ/mol	NIST
ΔvapH°	110.50	kJ/mol	NIST
ΔvapH°	110.40 ± 1.50	kJ/mol	NIST
IE	7.80	eV	Relay (1.0) Calculated Property
log10WS	-7.86		Relay (1.0) Calculated Property
logPoct/wat	8.370		Crippen Calculated Property
McVol	359.000	ml/mol	McGowan Calculated Property
Pc	805.25	kPa	Joback Calculated Property
Inp	[2290.00; 2297.00]
Inp	2297.00		NIST
Inp	2297.00		NIST
Inp	2290.00		NIST
Inp	2290.00		NIST
Inp	2297.00		NIST
Tboil	[630.15; 639.20]	K
Tboil	639.20	K	NIST
Tboil	630.15 ± 4.00	K	NIST
Tc	775.65	K	Relay (1.0) Calculated Property
Tfus	[238.55; 238.73]	K
Tfus	238.73	K	Solid-Liquid Equilibria, Excess Molar Volumes, and Molar Refractivity Deviations for Extractive Solvents of Molybdenum
Tfus	238.55 ± 1.00	K	NIST
Vc	1.401	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1132.54; 1255.89]	J/mol×K	[760.96; 932.42]
Cp,gas	1132.54	J/mol×K	760.96	Joback Calculated Property
Cp,gas	1155.63	J/mol×K	789.54	Joback Calculated Property
Cp,gas	1177.65	J/mol×K	818.11	Joback Calculated Property
Cp,gas	1198.64	J/mol×K	846.69	Joback Calculated Property
Cp,gas	1218.65	J/mol×K	875.27	Joback Calculated Property
Cp,gas	1237.72	J/mol×K	903.85	Joback Calculated Property
Cp,gas	1255.89	J/mol×K	932.42	Joback Calculated Property
Cp,liquid	750.80	J/mol×K	298.15	NIST
ΔvapH	[70.60; 100.10]	kJ/mol	[298.00; 603.50]
ΔvapH	100.10	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	71.85	kJ/mol	505.00	Thermodynamics and kinetics analysis of thermal dissociation of tri-n-octylamine hydrochloride in open system: A DFT and TGA study
ΔvapH	70.60	kJ/mol	603.50	NIST
ρl	[803.88; 817.08]	kg/m3	[283.15; 303.15]
ρl	817.08	kg/m3	283.15	Density, viscosity and excess molar volume of binary mixtures of tri-n-octylamine + diluents (n-heptane, n-octane, n-nonane, and n-decane) at various temperatures
ρl	810.48	kg/m3	293.15	Density, viscosity and excess molar volume of binary mixtures of tri-n-octylamine + diluents (n-heptane, n-octane, n-nonane, and n-decane) at various temperatures
ρl	807.90	kg/m3	298.15	Liquid-liquid equilibria for aqueous sulfuric acid solutions with undecane, dodecane, or 1-dodecanol, trioctylamine or tributyl phosphate and excess and deviation properties for sub-binary systems at 298.15 K
ρl	807.46	kg/m3	298.15	Liquid-liquid equilibria, excess molar volume and deviations of the refractive indices at 298.15 K for mixtures of solvents used in themolybdenum extraction process
ρl	810.03	kg/m3	298.15	Partial molar volume of tertiary amines in methanol at T = 298.15 K. Solvation, shape and specific interactions
ρl	807.26	kg/m3	298.15	Density, viscosity and excess molar volume of binary mixtures of tri-n-octylamine + diluents (n-heptane, n-octane, n-nonane, and n-decane) at various temperatures
ρl	803.88	kg/m3	303.15	Density, viscosity and excess molar volume of binary mixtures of tri-n-octylamine + diluents (n-heptane, n-octane, n-nonane, and n-decane) at various temperatures

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[487.56; 675.79]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52061e+01
Coefficient B			-5.53069e+03
Coefficient C			-1.16832e+02
Temperature range, min.			487.56
Temperature range, max.			675.79
Pvap	1.33	kPa	487.56	Calculated Property
Pvap	2.96	kPa	508.47	Calculated Property
Pvap	6.05	kPa	529.39	Calculated Property
Pvap	11.55	kPa	550.30	Calculated Property
Pvap	20.79	kPa	571.22	Calculated Property
Pvap	35.51	kPa	592.13	Calculated Property
Pvap	57.99	kPa	613.05	Calculated Property
Pvap	91.02	kPa	633.96	Calculated Property
Pvap	137.94	kPa	654.88	Calculated Property
Pvap	202.64	kPa	675.79	Calculated Property

Similar Compounds

Find more compounds similar to 1-Octanamine, N,N-dioctyl-.

Mixtures

• 1-Octanamine, N,N-dioctyl- + Decane + Water
• 1-Octanamine, N,N-dioctyl- + Water
• 1-Octanamine, N,N-dioctyl- + Dodecane
• 1-Dodecanol + 1-Octanamine, N,N-dioctyl-
• Undecane + 1-Octanamine, N,N-dioctyl-
• 1-Octanamine, N,N-dioctyl- + Methyl Alcohol
• 1-Octanamine, N,N-dioctyl- + Heptane
• 1-Octanamine, N,N-dioctyl- + Octane
• 1-Octanamine, N,N-dioctyl- + Nonane
• 1-Octanamine, N,N-dioctyl- + Decane
• 1-Octanamine, N,N-dioctyl- + 1-Octanol
• 1-Octanamine, N,N-dioctyl- + 1-Decanol
• 1-Octanamine, N,N-dioctyl- + Tributyl phosphate
• 1-Octanamine, N,N-dioctyl- + 1-Butanol
• n-Hexane + 1-Octanamine, N,N-dioctyl-
• n-Hexane + 1-Octanamine, N,N-dioctyl- + 1-Butanol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• SLE and LLE for tri-butylphosphate or tri-octylamine contained systems; extractive solvents of Molybdenum
• Liquid-liquid equilibria for aqueous sulfuric acid solutions with undecane, dodecane, or 1-dodecanol, trioctylamine or tributyl phosphate and excess and deviation properties for sub-binary systems at 298.15 K
• Liquid-liquid equilibria, excess molar volume and deviations of the refractive indices at 298.15 K for mixtures of solvents used in themolybdenum extraction process
• 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
• Partial molar volume of tertiary amines in methanol at T = 298.15 K. Solvation, shape and specific interactions
• Density, viscosity and excess molar volume of binary mixtures of tri-n-octylamine + diluents (n-heptane, n-octane, n-nonane, and n-decane) at various temperatures
• Thermodynamics and kinetics analysis of thermal dissociation of tri-n-octylamine hydrochloride in open system: A DFT and TGA study
• 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
• Solid-Liquid Equilibria, Excess Molar Volumes, and Molar Refractivity Deviations for Extractive Solvents of Molybdenum
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.