Chemical Properties of Diethyl Phthalate (CAS 84-66-2)

InChI

InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

InChI Key

FLKPEMZONWLCSK-UHFFFAOYSA-N

Formula

C12H14O4

SMILES

CCOC(=O)c1ccccc1C(=O)OCC

Molecular Weight¹

222.24

CAS

84-66-2

Other Names

• 1,2-Benzenedicarboxylic acid, 1,2-diethyl ester
• 1,2-Benzenedicarboxylic acid, diethyl ester
• 1,2-benzenedioic acid, diethyl ester
• 1,2-diethyl phthalate
• Anozol
• DEP
• DIETHYL ESTER
• Diethyl ester of 1,2-Benzenedicarboxylic acid
• Diethyl-1,2-benzenedicarboxylate
• Diethyl-o-phthalate
• Diethylester kyseliny ftalove
• Estol 1550
• Ethyl phthalate
• Kodaflex DEP
• NCI-C60048
• NSC 8905
• Neantine
• O-BENZENEDICARBOXYLIC ACID
• Palatinol A
• Phthalic acid, diethyl ester
• Phthalol
• Phthalsaeurediaethylester
• Placidol E
• Rcra waste number U088
• Solvanol
• Unimoll DA
• diethyl 1,2-benzenedicarboxylate
• diethyl 1,2-benzenedioate
• diethyl benzene-1,2-dicarboxylate
• o-Benzenedicarboxylic acid, diethyl ester
• o-Bis(ethoxycarbonyl)benzene

• 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).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6829		Relay (1.0) Calculated Property
ΔcH°liquid	[-6077.65; -5946.00]	kJ/mol
ΔcH°liquid	-5946.00 ± 12.00	kJ/mol	NIST
ΔcH°liquid	-6073.90	kJ/mol	NIST
ΔcH°liquid	-6077.65	kJ/mol	NIST
EA	0.54	eV	NIST
ΔfG°	-314.90	kJ/mol	Joback Calculated Property
ΔfH°gas	[-685.00; -661.40]	kJ/mol
ΔfH°gas	-661.40	kJ/mol	NIST
ΔfH°gas	-685.00 ± 13.00	kJ/mol	NIST
ΔfH°liquid	[-777.00; -753.08]	kJ/mol
ΔfH°liquid	-753.08	kJ/mol	NIST
ΔfH°liquid	-777.00 ± 12.00	kJ/mol	NIST
ΔfusH°	26.06	kJ/mol	Joback Calculated Property
ΔvapH°	[81.10; 87.40]	kJ/mol
ΔvapH°	82.10 ± 0.50	kJ/mol	NIST
ΔvapH°	87.40	kJ/mol	NIST
ΔvapH°	81.10 ± 0.80	kJ/mol	NIST
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	[-2.36; -2.35]
log10WS	-2.36		Aq. Solubility Prediction
log10WS	-2.35		Estimated Solubility
logPoct/wat	2.040		Crippen Calculated Property
McVol	171.060	ml/mol	McGowan Calculated Property
Pc	2260.00	kPa	Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
Inp	[269.90; 1610.00]
Inp	1551.10		NIST
Inp	1581.00		NIST
Inp	1583.00		NIST
Inp	1587.00		NIST
Inp	1603.00		NIST
Inp	1565.00		NIST
Inp	1568.00		NIST
Inp	1565.00		NIST
Inp	1568.00		NIST
Inp	1605.00		NIST
Inp	1543.00		NIST
Inp	1585.00		NIST
Inp	1592.00		NIST
Inp	1547.50		NIST
Inp	1550.90		NIST
Inp	1558.00		NIST
Inp	1584.00		NIST
Inp	1562.22		NIST
Inp	1563.47		NIST
Inp	1561.87		NIST
Inp	1570.77		NIST
Inp	1572.65		NIST
Inp	1569.25		NIST
Inp	1563.84		NIST
Inp	1567.00		NIST
Inp	1568.00		NIST
Inp	1558.00		NIST
Inp	1546.00		NIST
Inp	1549.00		NIST
Inp	1595.00		NIST
Inp	1583.00		NIST
Inp	1594.00		NIST
Inp	1559.00		NIST
Inp	1546.00		NIST
Inp	1602.30		NIST
Inp	1545.00		NIST
Inp	1546.00		NIST
Inp	1547.00		NIST
Inp	1550.00		NIST
Inp	1578.00		NIST
Inp	1578.00		NIST
Inp	1578.00		NIST
Inp	1578.00		NIST
Inp	1578.00		NIST
Inp	1579.00		NIST
Inp	1582.00		NIST
Inp	1585.00		NIST
Inp	1541.00		NIST
Inp	1556.00		NIST
Inp	1563.00		NIST
Inp	1597.00		NIST
Inp	1551.00		NIST
Inp	1547.00		NIST
Inp	1559.00		NIST
Inp	1601.00		NIST
Inp	1591.00		NIST
Inp	1592.00		NIST
Inp	1594.00		NIST
Inp	1610.00		NIST
Inp	1546.00		NIST
Inp	1610.00		NIST
Inp	1583.00		NIST
Inp	1595.00		NIST
Inp	1603.00		NIST
Inp	1570.00		NIST
Inp	1597.00		NIST
Inp	1583.00		NIST
Inp	1565.00		NIST
Inp	1548.00		NIST
Inp	1551.00		NIST
Inp	1559.00		NIST
Inp	1564.00		NIST
Inp	1560.00		NIST
Inp	1563.00		NIST
Inp	1604.00		NIST
Inp	1564.00		NIST
Inp	Outlier 271.90		NIST
Inp	Outlier 269.90		NIST
Inp	Outlier 271.04		NIST
Inp	Outlier 272.56		NIST
Inp	1601.00		NIST
Inp	1546.00		NIST
Inp	1570.00		NIST
Inp	1551.00		NIST
Inp	1604.00		NIST
Inp	1551.10		NIST
Inp	1594.00		NIST
Inp	1578.00		NIST
Inp	1585.00		NIST
Inp	1605.00		NIST
Inp	1550.90		NIST
Inp	1561.87		NIST
Inp	1567.00		NIST
I	[2309.00; 2407.00]
I	2378.00		NIST
I	2311.00		NIST
I	2309.00		NIST
I	2380.00		NIST
I	2370.00		NIST
I	2401.00		NIST
I	2370.00		NIST
I	2372.00		NIST
I	2366.00		NIST
I	2358.90		NIST
I	2361.10		NIST
I	2319.00		NIST
I	2355.00		NIST
I	2374.00		NIST
I	2312.00		NIST
I	2361.00		NIST
I	2358.00		NIST
I	2365.00		NIST
I	2365.00		NIST
I	2407.00		NIST
I	2400.00		NIST
I	2333.00		NIST
I	2346.00		NIST
I	2380.00		NIST
I	2366.00		NIST
I	2365.00		NIST
I	2346.00		NIST
I	2355.00		NIST
I	2378.00		NIST
I	2311.00		NIST
S°liquid	425.08	J/mol×K	NIST
Tboil	[562.65; 571.65]	K
Tboil	562.65	K	KDB
Tboil	571.17	K	(Liquid + liquid) equilibria of (water + propionic acid + diethyl phthalate) at several temperatures
Tboil	571.20	K	NIST
Tboil	571.00	K	NIST
Tboil	571.65 ± 1.00	K	NIST
Tc	754.19	K	Relay (1.0) Calculated Property
Tfus	[240.15; 272.80]	K
Tfus	245.53	K	Aq. Solubility Prediction
Tfus	272.80	K	NIST
Tfus	240.15 ± 1.00	K	NIST
Ttriple	269.92 ± 0.02	K	NIST
Vc	0.643	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.51; 504.49]	J/mol×K	[658.20; 870.02]
Cp,gas	436.51	J/mol×K	658.20	Joback Calculated Property
Cp,gas	449.86	J/mol×K	693.50	Joback Calculated Property
Cp,gas	462.40	J/mol×K	728.81	Joback Calculated Property
Cp,gas	474.13	J/mol×K	764.11	Joback Calculated Property
Cp,gas	485.06	J/mol×K	799.41	Joback Calculated Property
Cp,gas	495.18	J/mol×K	834.72	Joback Calculated Property
Cp,gas	504.49	J/mol×K	870.02	Joback Calculated Property
Cp,liquid	[357.70; 366.15]	J/mol×K	[298.15; 298.15]
Cp,liquid	357.70	J/mol×K	298.15	NIST
Cp,liquid	366.15	J/mol×K	298.15	NIST
η	[0.0001492; 0.0011118]	Pa×s	[408.26; 658.20]
η	0.0011118	Pa×s	408.26	Joback Calculated Property
η	0.0006814	Pa×s	449.92	Joback Calculated Property
η	0.0004537	Pa×s	491.57	Joback Calculated Property
η	0.0003219	Pa×s	533.23	Joback Calculated Property
η	0.0002401	Pa×s	574.89	Joback Calculated Property
η	0.0001863	Pa×s	616.54	Joback Calculated Property
η	0.0001492	Pa×s	658.20	Joback Calculated Property
ΔfusH	[17.98; 17.99]	kJ/mol	[269.90; 269.92]
ΔfusH	17.99	kJ/mol	269.90	NIST
ΔfusH	17.99	kJ/mol	269.90	NIST
ΔfusH	17.98	kJ/mol	269.92	NIST
ΔvapH	[59.10; 88.60]	kJ/mol	[233.00; 495.50]
ΔvapH	88.30 ± 2.10	kJ/mol	233.00	NIST
ΔvapH	88.60	kJ/mol	298.00	A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
ΔvapH	86.80	kJ/mol	320.00	NIST
ΔvapH	77.90	kJ/mol	399.00	NIST
ΔvapH	74.60	kJ/mol	426.00	NIST
ΔvapH	65.90	kJ/mol	474.00	NIST
ΔvapH	59.10	kJ/mol	495.50	NIST
Pvap	[1.65e-04; 3.10]	kPa	[303.19; 452.12]
Pvap	1.65e-04	kPa	303.19	Vapour pressure of diethyl phthalate
Pvap	2.60e-04	kPa	307.62	Vapour pressure of diethyl phthalate
Pvap	2.71e-04	kPa	308.10	Vapour pressure of diethyl phthalate
Pvap	3.20e-04	kPa	312.21	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	3.50e-04	kPa	312.21	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	4.56e-04	kPa	313.34	Vapour pressure of diethyl phthalate
Pvap	7.69e-04	kPa	318.54	Vapour pressure of diethyl phthalate
Pvap	1.03e-03	kPa	322.21	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	1.05e-03	kPa	322.21	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	1.16e-03	kPa	323.04	Vapour pressure of diethyl phthalate
Pvap	1.18e-03	kPa	323.33	Vapour pressure of diethyl phthalate
Pvap	1.84e-03	kPa	328.33	Vapour pressure of diethyl phthalate
Pvap	2.69e-03	kPa	332.21	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	2.84e-03	kPa	333.55	Vapour pressure of diethyl phthalate
Pvap	2.90e-03	kPa	333.58	Vapour pressure of diethyl phthalate
Pvap	2.86e-03	kPa	333.68	Vapour pressure of diethyl phthalate
Pvap	3.87e-03	kPa	337.65	Vapour pressure of diethyl phthalate
Pvap	4.38e-03	kPa	338.68	Vapour pressure of diethyl phthalate
Pvap	6.23e-03	kPa	342.19	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	6.57e-03	kPa	343.70	Vapour pressure of diethyl phthalate
Pvap	0.01	kPa	352.18	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.01	kPa	352.20	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.03	kPa	362.20	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.05	kPa	372.19	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.05	kPa	372.20	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.05	kPa	372.22	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.10	kPa	382.23	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.18	kPa	392.24	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.32	kPa	402.37	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.53	kPa	412.38	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	0.86	kPa	422.49	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	2.08	kPa	442.28	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
Pvap	3.10	kPa	452.12	Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
n0	[1.48970; 1.50700]		[283.15; 323.15]
n0	1.50700		283.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.50480		288.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.50270		293.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.50160		293.20	Isobaric (vapor + liquid) equilibria of the binary system maleic anhydride and diethyl phthalate at p = (2.67, 5.33, and 8.00) kPa
n0	1.50010		298.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K
n0	1.50050		298.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.49840		303.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.49780		303.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K
n0	1.49620		308.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.49580		308.15	Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K
n0	1.49390		313.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.49170		318.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.48970		323.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
ΔfusS	66.63	J/mol×K	269.92	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.96; 202.64]	kPa	[423.65; 572.62]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.79239e+01
Coefficient B			-6.30977e+03
Coefficient C			-7.23410e+01
Temperature range, min.			423.65
Temperature range, max.			572.62
Pvap	0.96	kPa	423.65	Calculated Property
Pvap	2.16	kPa	440.20	Calculated Property
Pvap	4.53	kPa	456.75	Calculated Property
Pvap	8.91	kPa	473.31	Calculated Property
Pvap	16.63	kPa	489.86	Calculated Property
Pvap	29.60	kPa	506.41	Calculated Property
Pvap	50.48	kPa	522.96	Calculated Property
Pvap	82.90	kPa	539.52	Calculated Property
Pvap	131.61	kPa	556.07	Calculated Property
Pvap	202.64	kPa	572.62	Calculated Property
Pvap	[1.32e-06; 2405.76]	kPa	[269.15; 757.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.91514e+02
Coefficient B			-1.75209e+04
Coefficient C			-2.51519e+01
Coefficient D			1.07455e-05
Temperature range, min.			269.15
Temperature range, max.			757.00
Pvap	1.32e-06	kPa	269.15	Calculated Property
Pvap	1.01e-03	kPa	323.36	Calculated Property
Pvap	0.07	kPa	377.56	Calculated Property
Pvap	1.38	kPa	431.77	Calculated Property
Pvap	11.08	kPa	485.97	Calculated Property
Pvap	52.51	kPa	540.18	Calculated Property
Pvap	176.74	kPa	594.38	Calculated Property
Pvap	476.80	kPa	648.59	Calculated Property
Pvap	1117.60	kPa	702.79	Calculated Property
Pvap	2405.76	kPa	757.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl Phthalate.

Mixtures

• Diethyl Phthalate + Propanoic acid + Water
• Diethyl Phthalate + Maleic anhydride
• Diethyl Phthalate + 1,4-Dioxane
• Diethyl Phthalate + Furfural + Water
• Diethyl Phthalate + Formic acid + Water
• Diethyl Phthalate + Water
• Diethyl Phthalate + Pentanoic acid, 4-oxo- + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Vapour pressure of diethyl phthalate
• (Liquid + liquid) equilibria of (water + propionic acid + diethyl phthalate) at several temperatures
• Isobaric (vapor + liquid) equilibria of the binary system maleic anhydride and diethyl phthalate at p = (2.67, 5.33, and 8.00) kPa
• A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
• Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa
• Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K
• Liquid-Liquid Equilibria for the Binary Systems (Water + Di-n-butyl Phthalate), (Water + Di-ethyl Phthalate), and (Water + Di-isobutyl Hexahydrophthalate) from (298.2 to 348.2) K
• Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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