Chemical Properties of Triethyl phosphate (CAS 78-40-0)

InChI

InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

InChI Key

DQWPFSLDHJDLRL-UHFFFAOYSA-N

Formula

C6H15O4P

SMILES

CCOP(=O)(OCC)OCC

Molecular Weight¹

182.15

CAS

78-40-0

Other Names

• (C2H5O)3PO
• Ethyl phosphate ((EtO)3PO)
• Ethyl phosphate, tri-
• NSC 2677
• TEP
• Triethoxyphosphine oxide
• Triethylfosfat
• Tris(ethyl) phosphate
• ethyl phosphate
• o-Phosphoric acid triethyl ester
• phosphoric acid, triethyl ester

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	909.30	kJ/mol	NIST
BasG	879.60	kJ/mol	NIST
ΔvapH°	55.70	kJ/mol	NIST
IE	[9.79; 12.80]	eV
IE	10.00	eV	NIST
IE	9.79	eV	NIST
IE	Outlier 12.80 ± 0.20	eV	NIST
IE	10.06 ± 0.27	eV	NIST
IE	10.69	eV	NIST
IE	10.54	eV	NIST
IE	10.40	eV	NIST
log10WS	[0.43; 0.43]
log10WS	0.43		Aq. Solubility Prediction
log10WS	0.43		Estimated Solubility
logPoct/wat	2.204		Crippen Calculated Property
McVol	139.340	ml/mol	McGowan Calculated Property
Inp	[1079.00; 1137.20]
Inp	1081.00		NIST
Inp	1079.00		NIST
Inp	1108.00		NIST
Inp	1109.00		NIST
Inp	1090.00		NIST
Inp	1137.20		NIST
Inp	1088.00		NIST
Inp	1120.50		NIST
Inp	1121.30		NIST
Inp	1121.50		NIST
Inp	1090.70		NIST
Inp	1137.20		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1127.00		NIST
Inp	1087.00		NIST
Inp	1090.50		NIST
Inp	1137.20		NIST
Inp	1096.00		NIST
Inp	1091.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
Inp	1096.00		NIST
I	[1656.00; 1672.10]
I	1656.00		NIST
I	1659.00		NIST
I	1656.10		NIST
I	1672.10		NIST
Tboil	[489.00; 489.04]	K
Tboil	489.04	K	Estimation of Normal Boiling points of Trialkyl Phosphates using Retention indices by Gas Chromatography
Tboil	489.00 ± 2.00	K	NIST
Tfus	216.95	K	Aq. Solubility Prediction

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[46.30; 55.73]	kJ/mol	[298.15; 398.00]
ΔvapH	55.73	kJ/mol	298.15	Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography
ΔvapH	46.30	kJ/mol	398.00	NIST
Pvap	[1.20e-03; 3.82e-03]	kPa	[271.25; 283.15]
Pvap	1.20e-03	kPa	271.25	Vapor Pressure of Triethyl and Tri-n-Propyl Phosphates and Diethyl Malonate
Pvap	1.24e-03	kPa	272.25	Vapor Pressure of Triethyl and Tri-n-Propyl Phosphates and Diethyl Malonate
Pvap	1.69e-03	kPa	275.25	Vapor Pressure of Triethyl and Tri-n-Propyl Phosphates and Diethyl Malonate
Pvap	2.22e-03	kPa	278.05	Vapor Pressure of Triethyl and Tri-n-Propyl Phosphates and Diethyl Malonate
Pvap	3.82e-03	kPa	283.15	Vapor Pressure of Triethyl and Tri-n-Propyl Phosphates and Diethyl Malonate
ρl	[1043.20; 1071.10]	kg/m3	[293.15; 323.15]
ρl	1071.10	kg/m3	293.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1067.90	kg/m3	298.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1063.30	kg/m3	303.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1058.90	kg/m3	308.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1053.50	kg/m3	313.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1048.00	kg/m3	318.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids
ρl	1043.20	kg/m3	323.15	Towards understanding the effect of electrostatic interactions on the density of ionic liquids

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[361.00; 517.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61069e+01
Coefficient B			-5.33572e+03
Coefficient C			-2.37130e+01
Temperature range, min.			361.00
Temperature range, max.			517.97
Pvap	1.33	kPa	361.00	Calculated Property
Pvap	2.90	kPa	378.44	Calculated Property
Pvap	5.87	kPa	395.88	Calculated Property
Pvap	11.15	kPa	413.32	Calculated Property
Pvap	20.06	kPa	430.76	Calculated Property
Pvap	34.37	kPa	448.21	Calculated Property
Pvap	56.45	kPa	465.65	Calculated Property
Pvap	89.27	kPa	483.09	Calculated Property
Pvap	136.54	kPa	500.53	Calculated Property
Pvap	202.65	kPa	517.97	Calculated Property

Similar Compounds

Find more compounds similar to Triethyl phosphate.

Mixtures

• Triethyl phosphate + Carbon dioxide
• 1H-Imidazole, 1-methyl- + Triethyl phosphate

Sources

• 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
• Below the room temperature measurements of solubilities in ester absorbents for CO2 capture
• 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
• Vapor Pressure of Triethyl and Tri-n-Propyl Phosphates and Diethyl Malonate
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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