Dipropyl phthalate
Properties
- Molecular formula
- C14H18O4
- Molar mass
- 250.29 g/mol
- Exact mass
- 250.1205 Da
- Density
- 1.082 g/mL (at 20 °C)
- Boiling point
- 317.5 °C
- logP
- 2.82Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 6
Hazards
Warning
- H351 Suspected of causing cancer37.2% of notifiers
- H361 Suspected of damaging fertility or the unborn child92.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects56.4% of notifiers
Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P273, P280, P318, P391, P405, P501
Identifiers
CAS number
131-16-8SMILES
CCCOC(=O)c1ccccc1C(=O)OCCCInChIKey
MQHNKCZKNAJROC-UHFFFAOYSA-NInChI
InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1,2-Benzenedicarboxylic acid, 1,2-dipropyl ester
- Phthalic acid, dipropyl ester
- 1,2-Benzenedicarboxylic acid, dipropyl ester
- Di-n-Propyl phthalate
- Dipropyl benzene-1,2-dicarboxylate
- NSC 15314
Work with Dipropyl phthalate
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
Dibutyl phthalate84-74-279 % similar
Dipentyl phthalate131-18-077 % similar
Propyl salicylate607-90-975 % similar
Di-n-octyl phthalate117-84-074 % similar
Diheptyl phthalate3648-21-374 % similar
Dihexyl phthalate84-75-374 % similar
Dinonyl 1,2-benzenedicarboxylate84-76-474 % similar
Didecyl phthalate84-77-574 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds