chempirical

Diethyl terephthalate

C12H14O4CAS 636-09-9222.24 g/mol

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Ester

Properties

Molecular formula
C12H14O4
Molar mass
222.24 g/mol
Exact mass
222.0892 Da
Density
1.0913 g/mL (at 25 °C)
Melting point
44 °C
Boiling point
302 °C
logP
2.04Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
636-09-9
SMILES
CCOC(=O)c1ccc(C(=O)OCC)cc1
InChIKey
ONIHPYYWNBVMID-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • 1,4-Benzenedicarboxylic acid, 1,4-diethyl ester
  • Terephthalic acid, diethyl ester
  • 1,4-Benzenedicarboxylic acid, diethyl ester
  • p-Benzenedicarboxylic acid diethyl ester
  • p-Diethyl phthalate
  • NSC 68816
  • 1,4-Diethyl benzene-1,4-dicarboxylate

Work with Diethyl terephthalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 4-methylbenzoate94-08-681 % similar Ethyl benzoate93-89-080 % similar Ethylparaben120-47-878 % similar Ethyl 4-ethoxybenzoate23676-09-778 % similar Ethyl 4-fluorobenzoate451-46-778 % similar Ethyl 4-iodobenzoate51934-41-978 % similar Ethyl 4-bromobenzoate5798-75-478 % similar Ethyl 4-chlorobenzoate7335-27-578 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diglycidyl resorcinol ether101-90-6 Monobutyl phthalate131-70-4 Isobutavan20665-85-4 5-tert-Butylisophthalic acid2359-09-3 Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate2881-83-6 Ethyl ferulate4046-02-0 1,4-Benzenedipropanoic acid4251-21-2 Piperonyl isobutyrate5461-08-5

Elsewhere

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