Chemical Properties of Diprop-2-ynyl phthalate

Diprop-2-ynyl phthalate

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InChI
InChI=1S/C14H10O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h1-2,5-8H,9-10H2
InChI Key
NQXDCRARZBUWHX-UHFFFAOYSA-N
Formula
C14H10O4
SMILES
C#CCOC(=O)c1ccccc1C(=O)OCC#C
Molecular Weight1
242.23
Other Names
  • 1,2-Benzenedicarboxylic acid, diprop-2-ynyl ester
  • Diprop-2-ynyl-1,2-benzenedicarboxylate
Sources

Physical Properties

Property Value Unit Source
Δf 148.08 kJ/mol Joback Calculated Property
Δfgas -13.03 kJ/mol Joback Calculated Property
Δfus 37.19 kJ/mol Joback Calculated Property
Δvap 67.72 kJ/mol Joback Calculated Property
logPoct/wat 1.27 Crippen Calculated Property
Pc 2896.73 kPa Joback Calculated Property
Tboil 684.20 K Joback Calculated Property
Tc 915.99 K Joback Calculated Property
Tfus 524.74 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 445.92 J/mol×K 684.2 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-((Prop-2-ynyloxy)carbonyl)benzoic acid. 1,2-Benzenedicarboxylic acid, ethyl methyl ester. Diethyl phthalate. Phthalic acid, monoethyl ester. Allyl methyl phthalate. 1,2-Benzenedicarboxylic acid, di-2-propenyl ester. Ethylallylphthalate. Isopropyl methyl phthalate. 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester. 2-(Allyloxycarbonyl)benzoic acid. 2-(Isopropoxycarbonyl)benzoic acid. Di(E)-but-2-enyl phthalate. Methyl propyl phthalate. 1,2-Benzenedicarboxylic acid, dipropyl ester. (E)-2-((But-2-enyloxy)carbonyl)benzoic acid.

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