Chemical Properties of Tri-n-butylphosphate

InChI

InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

InChI Key

STCOOQWBFONSKY-UHFFFAOYSA-N

Formula

C12H27O4P

SMILES

CCCCOP(=O)(OCCCC)OCCCC

Molecular Weight¹

266.32

Other Names

• Butyl phosphate
• Butyl phosphate, ((BuO)3PO)
• Butyl phosphate, tri-
• Celluphos 4
• Disflamoll TB
• Kronitex TBP
• NSC 8484
• Phosphoric acid tri-n-butyl ester
• Phosphoric acid tributyl ester
• Syn-O-Ad 8412
• TBP
• Tributilfosfato
• Tributyl ester of phosphoric acid
• Tributyle (phosphate de)
• Tributylfosfaat
• Tributylfosfat
• Tributylphosphat
• Tributylphsophate
• phosphoric acid, tributyl ester
• tri-n-butyl phosphate
• tributhyl phosphate
• tributoxy-hydroxyphosphanium
• tributoxyphosphine oxide
• tributyl phosphate

• ω : Acentric Factor.
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• 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_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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.7347		Relay (1.0) Calculated Property
η	0.0034500	Pa×s	Viscosity of the Tributyl Phosphate + Methyl Isobutyl Ketone + Phosphoric Acid System
ΔfG°	-411.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-972.68	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	[78.80; 81.70]	kJ/mol
ΔvapH°	81.30	kJ/mol	NIST
ΔvapH°	78.80	kJ/mol	NIST
ΔvapH°	81.70	kJ/mol	NIST
IE	10.20	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Aq. Solubility Prediction
logPoct/wat	4.545		Crippen Calculated Property
McVol	223.880	ml/mol	McGowan Calculated Property
Pc	1776.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[278.79; 1663.00]
Inp	1613.00		NIST
Inp	1612.00		NIST
Inp	1612.00		NIST
Inp	1619.00		NIST
Inp	1663.00		NIST
Inp	1619.00		NIST
Inp	1613.00		NIST
Inp	1622.00		NIST
Inp	1616.00		NIST
Inp	1638.70		NIST
Inp	1647.40		NIST
Inp	1647.90		NIST
Inp	1623.00		NIST
Inp	1636.00		NIST
Inp	1615.70		NIST
Inp	1658.80		NIST
Inp	1623.00		NIST
Inp	1662.00		NIST
Inp	1663.00		NIST
Inp	1617.00		NIST
Inp	1655.00		NIST
Inp	1615.00		NIST
Inp	1642.00		NIST
Inp	1644.00		NIST
Inp	1649.00		NIST
Inp	1655.00		NIST
Inp	1655.00		NIST
Inp	1621.00		NIST
Inp	1620.00		NIST
Inp	1614.00		NIST
Inp	1616.00		NIST
Inp	Outlier 283.20		NIST
Inp	Outlier 278.79		NIST
Inp	Outlier 283.20		NIST
Inp	1642.00		NIST
Inp	1621.00		NIST
Inp	1615.00		NIST
Inp	1619.00		NIST
I	[2075.00; 2157.40]
I	2117.00		NIST
I	2118.00		NIST
I	2114.20		NIST
I	2075.00		NIST
I	Outlier 2157.40		NIST
I	2079.00		NIST
I	2079.00		NIST
I	2075.00		NIST
I	2079.00		NIST
Tboil	561.34	K	Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography
Tc	691.02	K	Relay (1.0) Calculated Property
Tfus	[193.48; 194.31]	K
Tfus	194.20	K	SLE and LLE for tri-butylphosphate or tri-octylamine contained systems; extractive solvents of Molybdenum
Tfus	194.31	K	Solid-Liquid Equilibria, Excess Molar Volumes, and Molar Refractivity Deviations for Extractive Solvents of Molybdenum
Tfus	193.48	K	Aq. Solubility Prediction
Vc	0.870	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	379.40	J/mol×K	298.15	NIST
η	[0.0018420; 0.0043040]	Pa×s	[288.15; 328.15]
η	0.0043040	Pa×s	288.15	Densities and Viscosities of Binary Mixtures of Tri-n-butyl Phosphate + Cyclohexane, + n-Heptane at T ) (288.15, 293.15, 298.15, 303.15, and 308.15) K
η	0.0037700	Pa×s	293.15	Densities and Viscosities of Binary Mixtures of Tri-n-butyl Phosphate + Cyclohexane, + n-Heptane at T ) (288.15, 293.15, 298.15, 303.15, and 308.15) K
η	0.0033990	Pa×s	298.15	Densities and Viscosities of Binary Mixtures of Tributyl Phosphate with Hexane and Dodecane from (298.15 to 328.15) K
η	0.0033410	Pa×s	298.15	Densities and Viscosities of Binary Mixtures of Tri-n-butyl Phosphate + Cyclohexane, + n-Heptane at T ) (288.15, 293.15, 298.15, 303.15, and 308.15) K
η	0.0030120	Pa×s	303.15	Densities and Viscosities of Binary Mixtures of Tributyl Phosphate with Hexane and Dodecane from (298.15 to 328.15) K
η	0.0029690	Pa×s	303.15	Densities and Viscosities of Binary Mixtures of Tri-n-butyl Phosphate + Cyclohexane, + n-Heptane at T ) (288.15, 293.15, 298.15, 303.15, and 308.15) K
η	0.0027020	Pa×s	308.15	Densities and Viscosities of Binary Mixtures of Tributyl Phosphate with Hexane and Dodecane from (298.15 to 328.15) K
η	0.0026510	Pa×s	308.15	Densities and Viscosities of Binary Mixtures of Tri-n-butyl Phosphate + Cyclohexane, + n-Heptane at T ) (288.15, 293.15, 298.15, 303.15, and 308.15) K
η	0.0024410	Pa×s	313.15	Densities and Viscosities of Binary Mixtures of Tributyl Phosphate with Hexane and Dodecane from (298.15 to 328.15) K
η	0.0022200	Pa×s	318.15	Densities and Viscosities of Binary Mixtures of Tributyl Phosphate with Hexane and Dodecane from (298.15 to 328.15) K
η	0.0020220	Pa×s	323.15	Densities and Viscosities of Binary Mixtures of Tributyl Phosphate with Hexane and Dodecane from (298.15 to 328.15) K
η	0.0018420	Pa×s	328.15	Densities and Viscosities of Binary Mixtures of Tributyl Phosphate with Hexane and Dodecane from (298.15 to 328.15) K
ΔvapH	[61.40; 81.29]	kJ/mol	[298.15; 531.00]
ΔvapH	81.29	kJ/mol	298.15	Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography
ΔvapH	61.40	kJ/mol	531.00	NIST
ρl	[940.90; 976.92]	kg/m3	[293.15; 323.15]
ρl	976.00	kg/m3	293.15	Liquid-liquid equilibrium of 1-butanol + water +tri-n-butyl phosphate + ammonium chloride system
ρl	964.60	kg/m3	293.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	976.92	kg/m3	293.15	Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate
ρl	972.70	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	972.79	kg/m3	298.15	Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate
ρl	972.77	kg/m3	298.15	Volumetric and compressibility studies on tri-n-butyl phosphate (TBP)-phase modifier (1-octanol, 1-decanol and isodecanol) interactions from T = (298.15 to 323.15) K
ρl	972.69	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	972.69	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	973.85	kg/m3	298.15	Volumetric and acoustic properties of binary mixtures of tri-n-butyl phosphate with n-hexane, cyclohexane, and n-heptane from T = (298.15 to 323.15) K
ρl	961.60	kg/m3	298.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	972.82	kg/m3	298.15	Thermodynamics of mixing for binary mixtures of 1-octanol and 1-decanol with n-dodecane and ternary mixture of (TBP + 1-octanol + dodecane) at T = (298.15 to 323.15) K
ρl	968.39	kg/m3	303.15	Density, Refractive Index, and Sound Velocity for the Binary Mixtures of Tri-n-Butyl Phosphate and n-Butanol between 303.15 K and 323.15 K
ρl	968.50	kg/m3	303.15	Thermodynamics of mixing for binary mixtures of 1-octanol and 1-decanol with n-dodecane and ternary mixture of (TBP + 1-octanol + dodecane) at T = (298.15 to 323.15) K
ρl	968.59	kg/m3	303.15	Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate
ρl	969.44	kg/m3	303.15	Volumetric and acoustic properties of binary mixtures of tri-n-butyl phosphate with n-hexane, cyclohexane, and n-heptane from T = (298.15 to 323.15) K
ρl	958.40	kg/m3	303.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	968.46	kg/m3	303.15	Volumetric and compressibility studies on tri-n-butyl phosphate (TBP)-phase modifier (1-octanol, 1-decanol and isodecanol) interactions from T = (298.15 to 323.15) K
ρl	964.16	kg/m3	308.15	Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate
ρl	964.15	kg/m3	308.15	Volumetric and compressibility studies on tri-n-butyl phosphate (TBP)-phase modifier (1-octanol, 1-decanol and isodecanol) interactions from T = (298.15 to 323.15) K
ρl	964.11	kg/m3	308.15	Density, Refractive Index, and Sound Velocity for the Binary Mixtures of Tri-n-Butyl Phosphate and n-Butanol between 303.15 K and 323.15 K
ρl	964.18	kg/m3	308.15	Thermodynamics of mixing for binary mixtures of 1-octanol and 1-decanol with n-dodecane and ternary mixture of (TBP + 1-octanol + dodecane) at T = (298.15 to 323.15) K
ρl	955.40	kg/m3	308.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	965.04	kg/m3	308.15	Volumetric and acoustic properties of binary mixtures of tri-n-butyl phosphate with n-hexane, cyclohexane, and n-heptane from T = (298.15 to 323.15) K
ρl	960.62	kg/m3	313.15	Volumetric and acoustic properties of binary mixtures of tri-n-butyl phosphate with n-hexane, cyclohexane, and n-heptane from T = (298.15 to 323.15) K
ρl	959.84	kg/m3	313.15	Volumetric and compressibility studies on tri-n-butyl phosphate (TBP)-phase modifier (1-octanol, 1-decanol and isodecanol) interactions from T = (298.15 to 323.15) K
ρl	959.82	kg/m3	313.15	Density, Refractive Index, and Sound Velocity for the Binary Mixtures of Tri-n-Butyl Phosphate and n-Butanol between 303.15 K and 323.15 K
ρl	959.93	kg/m3	313.15	Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate
ρl	949.60	kg/m3	313.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	959.86	kg/m3	313.15	Thermodynamics of mixing for binary mixtures of 1-octanol and 1-decanol with n-dodecane and ternary mixture of (TBP + 1-octanol + dodecane) at T = (298.15 to 323.15) K
ρl	956.19	kg/m3	318.15	Volumetric and acoustic properties of binary mixtures of tri-n-butyl phosphate with n-hexane, cyclohexane, and n-heptane from T = (298.15 to 323.15) K
ρl	955.53	kg/m3	318.15	Thermodynamics of mixing for binary mixtures of 1-octanol and 1-decanol with n-dodecane and ternary mixture of (TBP + 1-octanol + dodecane) at T = (298.15 to 323.15) K
ρl	956.18	kg/m3	318.15	Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate
ρl	944.70	kg/m3	318.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	955.52	kg/m3	318.15	Volumetric and compressibility studies on tri-n-butyl phosphate (TBP)-phase modifier (1-octanol, 1-decanol and isodecanol) interactions from T = (298.15 to 323.15) K
ρl	955.54	kg/m3	318.15	Density, Refractive Index, and Sound Velocity for the Binary Mixtures of Tri-n-Butyl Phosphate and n-Butanol between 303.15 K and 323.15 K
ρl	951.20	kg/m3	323.15	Thermodynamics of mixing for binary mixtures of 1-octanol and 1-decanol with n-dodecane and ternary mixture of (TBP + 1-octanol + dodecane) at T = (298.15 to 323.15) K
ρl	951.20	kg/m3	323.15	Volumetric and compressibility studies on tri-n-butyl phosphate (TBP)-phase modifier (1-octanol, 1-decanol and isodecanol) interactions from T = (298.15 to 323.15) K
ρl	951.75	kg/m3	323.15	Volumetric and acoustic properties of binary mixtures of tri-n-butyl phosphate with n-hexane, cyclohexane, and n-heptane from T = (298.15 to 323.15) K
ρl	951.94	kg/m3	323.15	Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate
ρl	940.90	kg/m3	323.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	951.26	kg/m3	323.15	Density, Refractive Index, and Sound Velocity for the Binary Mixtures of Tri-n-Butyl Phosphate and n-Butanol between 303.15 K and 323.15 K
γ	[0.03; 0.03]	N/m	[293.15; 323.15]
γ	0.03	N/m	293.15	Surface tension of binary mixtures of (ionic liquid + tributyl phosphate)
γ	0.03	N/m	298.15	Surface tension of binary mixtures of (ionic liquid + tributyl phosphate)
γ	0.03	N/m	303.15	Surface tension of binary mixtures of (ionic liquid + tributyl phosphate)
γ	0.03	N/m	308.15	Surface tension of binary mixtures of (ionic liquid + tributyl phosphate)
γ	0.03	N/m	313.15	Surface tension of binary mixtures of (ionic liquid + tributyl phosphate)
γ	0.03	N/m	318.15	Surface tension of binary mixtures of (ionic liquid + tributyl phosphate)
γ	0.03	N/m	323.15	Surface tension of binary mixtures of (ionic liquid + tributyl phosphate)

Similar Compounds

Find more compounds similar to Tri-n-butylphosphate.

Mixtures

• Dodecane + Tri-n-butylphosphate + 1-Octanol
• Carbon dioxide + Tri-n-butylphosphate
• Tri-n-butylphosphate + 1-Butanol + Water
• Tri-n-butylphosphate + 1-Octanol
• Tri-n-butylphosphate + 1-Decanol
• Tri-n-butylphosphate + Decane + Water
• Dodecane + Tri-n-butylphosphate
• 1-Dodecanol + Tri-n-butylphosphate
• Undecane + Tri-n-butylphosphate
• n-Hexane + Tri-n-butylphosphate
• Tri-n-butylphosphate + Cyclohexane
• Tri-n-butylphosphate + Heptane
• Tri-n-butylphosphate + Methyl Alcohol
• Ethanol + Tri-n-butylphosphate
• 1-Propanol + Tri-n-butylphosphate
• Tri-n-butylphosphate + 1-Butanol
• Tri-n-butylphosphate + Sulfuryl fluoride
• Benzoic acid + Tri-n-butylphosphate
• Tri-n-butylphosphate + Water
• Tri-n-butylphosphate + Water + Phosphoric Acid

Find more mixtures with Tri-n-butylphosphate.

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
• Towards understanding the effect of electrostatic interactions on the density of ionic liquids
• 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
• Liquid-liquid equilibrium of 1-butanol + water +tri-n-butyl phosphate + ammonium chloride system
• 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
• Molar excess enthalpies of binary mixtures of [tributyl phosphate + {CH3(CH2)nOH (n = 0 to 3)}] at 298.15 K
• Volumetric and acoustic properties of binary mixtures of tri-n-butyl phosphate with n-hexane, cyclohexane, and n-heptane from T = (298.15 to 323.15) K
• Volumetric and compressibility studies on tri-n-butyl phosphate (TBP)-phase modifier (1-octanol, 1-decanol and isodecanol) interactions from T = (298.15 to 323.15) K
• Thermodynamics of mixing for binary mixtures of 1-octanol and 1-decanol with n-dodecane and ternary mixture of (TBP + 1-octanol + dodecane) at T = (298.15 to 323.15) K
• Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate
• Solubilities of sulfuryl fluoride in propylene carbonate, tributyl phosphate and N-methylpyrrolidone
• Below the room temperature measurements of solubilities in ester absorbents for CO2 capture
• Surface tension of binary mixtures of (ionic liquid + tributyl phosphate)
• Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography
• Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography
• Density, Refractive Index, and Sound Velocity for the Binary Mixtures of Tri-n-Butyl Phosphate and n-Butanol between 303.15 K and 323.15 K
• Thermodynamic Properties and Phase Equilibria in the Water Tri-n-butyl Phosphate System
• Solubility Measurement and Thermodynamic Modeling of Benzoic Acid in Monosolvents and Binary Mixtures
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Densities and Viscosities of Binary Mixtures of Tributyl Phosphate with Hexane and Dodecane from (298.15 to 328.15) K
• Liquid-Liquid Equilibrium in the System Phosphoric Acid/Water/Tri-n-butyl Phosphate/Calcium Chloride
• Liquid Liquid Equilibria for the Quaternary System H3PO4-NaCl-H2O-TBP at 298.15 K
• Viscosity of the Tributyl Phosphate + Methyl Isobutyl Ketone + Phosphoric Acid System
• Densities and Viscosities of Binary Mixtures of Tri-n-butyl Phosphate + Cyclohexane, + n-Heptane at T ) (288.15, 293.15, 298.15, 303.15, and 308.15) K
• Solid-Liquid Equilibria, Excess Molar Volumes, and Molar Refractivity Deviations for Extractive Solvents of Molybdenum
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.