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

Diethyl Phthalate

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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
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Physical Properties

Property Value Unit Source
Δcliquid [-6077.65; -5946.00] kJ/mol Show Hide
Δcliquid -5946.00 ± 12.00 kJ/mol NIST
Δcliquid -6073.90 kJ/mol NIST
Δcliquid -6077.65 kJ/mol NIST
EA 0.54 eV NIST
Δf -314.90 kJ/mol Joback Calculated Property
Δfgas [-685.00; -661.40] kJ/mol Show Hide
Δfgas -661.40 kJ/mol NIST
Δfgas -685.00 ± 13.00 kJ/mol NIST
Δfliquid [-777.00; -753.08] kJ/mol Show Hide
Δfliquid -753.08 kJ/mol NIST
Δfliquid -777.00 ± 12.00 kJ/mol NIST
Δfus 26.06 kJ/mol Joback Calculated Property
Δvap [81.10; 87.40] kJ/mol Show Hide
Δvap 82.10 ± 0.50 kJ/mol NIST
Δvap 87.40 kJ/mol NIST
Δvap 81.10 ± 0.80 kJ/mol NIST
log10WS [-2.36; -2.35]   Show Hide
log10WS -2.36 Aq. Sol...
log10WS -2.35 Estimat...
logPoct/wat 2.040 Crippen Calculated Property
McVol 171.060 ml/mol McGowan Calculated Property
Pc 2260.00 kPa Critica...
Inp [269.90; 1610.00]   Show Hide
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]   Show Hide
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
liquid 425.08 J/mol×K NIST
Tboil [562.65; 571.65] K Show Hide
Tboil 562.65 K KDB
Tboil 571.17 K (Liquid...
Tboil 571.20 K NIST
Tboil 571.00 K NIST
Tboil 571.65 ± 1.00 K NIST
Tc 870.02 K Joback Calculated Property
Tfus [240.15; 272.80] K Show Hide
Tfus 245.53 K Aq. Sol...
Tfus 272.80 K NIST
Tfus 240.15 ± 1.00 K NIST
Ttriple 269.92 ± 0.02 K NIST
Vc 0.647 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [436.51; 504.49] J/mol×K [658.20; 870.02] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
ΔvapH 88.30 ± 2.10 kJ/mol 233.00 NIST
ΔvapH 88.60 kJ/mol 298.00 A Compa...
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] Show Hide
Pvap 1.65e-04 kPa 303.19 Vapour ...
Pvap 2.60e-04 kPa 307.62 Vapour ...
Pvap 2.71e-04 kPa 308.10 Vapour ...
Pvap 3.20e-04 kPa 312.21 Apparat...
Pvap 3.50e-04 kPa 312.21 Apparat...
Pvap 4.56e-04 kPa 313.34 Vapour ...
Pvap 7.69e-04 kPa 318.54 Vapour ...
Pvap 1.03e-03 kPa 322.21 Apparat...
Pvap 1.05e-03 kPa 322.21 Apparat...
Pvap 1.16e-03 kPa 323.04 Vapour ...
Pvap 1.18e-03 kPa 323.33 Vapour ...
Pvap 1.84e-03 kPa 328.33 Vapour ...
Pvap 2.69e-03 kPa 332.21 Apparat...
Pvap 2.84e-03 kPa 333.55 Vapour ...
Pvap 2.90e-03 kPa 333.58 Vapour ...
Pvap 2.86e-03 kPa 333.68 Vapour ...
Pvap 3.87e-03 kPa 337.65 Vapour ...
Pvap 4.38e-03 kPa 338.68 Vapour ...
Pvap 6.23e-03 kPa 342.19 Apparat...
Pvap 6.57e-03 kPa 343.70 Vapour ...
Pvap 0.01 kPa 352.18 Apparat...
Pvap 0.01 kPa 352.20 Apparat...
Pvap 0.03 kPa 362.20 Apparat...
Pvap 0.05 kPa 372.19 Apparat...
Pvap 0.05 kPa 372.20 Apparat...
Pvap 0.05 kPa 372.22 Apparat...
Pvap 0.10 kPa 382.23 Apparat...
Pvap 0.18 kPa 392.24 Apparat...
Pvap 0.32 kPa 402.37 Apparat...
Pvap 0.53 kPa 412.38 Apparat...
Pvap 0.86 kPa 422.49 Apparat...
Pvap 2.08 kPa 442.28 Apparat...
Pvap 3.10 kPa 452.12 Apparat...
n0 [1.48970; 1.50700]   [283.15; 323.15] Show Hide
n0 1.50700 283.15 Solubil...
n0 1.50480 288.15 Solubil...
n0 1.50270 293.15 Solubil...
n0 1.50160 293.20 Isobari...
n0 1.50050 298.15 Solubil...
n0 1.50010 298.15 Density...
n0 1.49840 303.15 Solubil...
n0 1.49780 303.15 Density...
n0 1.49620 308.15 Solubil...
n0 1.49580 308.15 Density...
n0 1.49390 313.15 Solubil...
n0 1.49170 318.15 Solubil...
n0 1.48970 323.15 Solubil...
ΔfusS 66.63 J/mol×K 269.92 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 430.00 K 1.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.96; 202.64] kPa [423.65; 572.62] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.79239e+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 Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.91514e+02
Coefficient B-1.75209e+04
Coefficient C-2.51519e+01
Coefficient D1.07455e-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

1,2-Benzenedicarboxylic acid, ethyl methyl ester. Phthalic acid, monoethyl ester. Phthalic acid, allyl ethyl ester. Isopropyl methyl phthalate. 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester. 1,2-Benzenedicarboxylic acid, dipropyl ester. Bis(2-methoxyethyl) phthalate. Bis(2,2-dichloroethyl) phthalate. 2-Methoxyethyl methyl phthalate. Diprop-2-ynyl phthalate. Methyl propyl phthalate. Diallyl phthalate. 1,2-Benzenedicarboxylic acid, bis(2-ethoxyethyl) ester. 2-((2-Chloroethoxy)carbonyl)benzoic acid. 1,2-Benzenedicarboxylic acid, bis(ethoxyethoxyethyl) ester.

Find more compounds similar to Diethyl Phthalate.

Mixtures

Sources

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