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-diethyl phthalate
  • Anozol
  • DEP
  • 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
  • Palatinol A
  • Phthalic acid, diethyl ester
  • Phthalol
  • Phthalsaeurediaethylester
  • Placidol E
  • Rcra waste number U088
  • Solvanol
  • Unimoll DA
  • o-Benzenedicarboxylic acid, diethyl ester
  • o-Bis(ethoxycarbonyl)benzene
Sources

Physical Properties

Property Value Unit Source
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 -661.40 kJ/mol NIST
Δfgas -685.00 ± 13.00 kJ/mol NIST
Δfliquid -753.08 kJ/mol NIST
Δfliquid -777.00 ± 12.00 kJ/mol NIST
Δfus 26.06 kJ/mol Joback Calculated Property
Δvap 82.10 ± 0.50 kJ/mol NIST
Δvap 87.40 kJ/mol NIST
Δvap 81.10 ± 0.80 kJ/mol NIST
logPoct/wat 2.04 Crippen Calculated Property
Pc 2597.78 kPa Joback Calculated Property
liquid 425.08 J/mol×K NIST
Tboil [430.00; 571.65] K Show Hide
Tboil 571.20 K NIST
Tboil 571.00 K NIST
Tboil 571.65 ± 1.00 K NIST
Tboil 430.00 K NIST
Tc 870.02 K Joback Calculated Property
Tfus 272.80 K NIST
Tfus 240.15 ± 1.00 K NIST
Ttriple 269.92 ± 0.02 K NIST
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 436.51 J/mol×K 658.2 Joback Calculated Property
Cp,liquid 357.70 J/mol×K 298.15 NIST
Cp,liquid 366.15 J/mol×K 298.15 NIST
η 0.00 Pa×s 658.2 Joback Calculated Property
ΔfusH 17.99 kJ/mol 269.9 NIST
ΔfusH 17.99 kJ/mol 269.9 NIST
ΔfusH 17.98 kJ/mol 269.92 NIST
ΔvapH [59.10; 88.30] kJ/mol [233.00; 495.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 88.30 ± 2.10 kJ/mol 233.0 NIST
ΔvapH 86.80 kJ/mol 320.0 NIST
ΔvapH 77.90 kJ/mol 399.0 NIST
ΔvapH 74.60 kJ/mol 426.0 NIST
ΔvapH 65.90 kJ/mol 474.0 NIST
ΔvapH 59.10 kJ/mol 495.5 NIST
ΔfusS 66.63 J/mol×K 269.92 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
-CH3 2

Similar Compounds

1,2-Benzenedicarboxylic acid, ethyl methyl ester. Phthalic acid, monoethyl ester. Isopropyl methyl phthalate. Allyl methyl phthalate. 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester. Ethylallylphthalate. 1,2-Benzenedicarboxylic acid, di-2-propenyl ester. Methyl propyl phthalate. 1,2-Benzenedicarboxylic acid, dipropyl ester. 2-(Isopropoxycarbonyl)benzoic acid. 2-(Allyloxycarbonyl)benzoic acid. 2-(Propoxycarbonyl)benzoic acid. Bis(2-methoxyethyl) phthalate. Diprop-2-ynyl phthalate. 2-Methoxyethyl methyl phthalate.

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