Dipropyl phthalate

• Catalog Number: ACM131168-1
• Product Name: Dipropyl phthalate
• CAS: 131-16-8
• Category: Polymer/Macromolecule
• Description: Di-n-propyl phthalate is a colorless liquid. (NTP, 1992)
• Synonyms: Di-n-propylphthalate
• IUPAC Name: Dipropyl benzene-1,2-dicarboxylate
• Molecular Weight: 250.29
• Molecular Formula: C14H18O4
• Canonical SMILES: CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
• InChI: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
• InChI Key: MQHNKCZKNAJROC-UHFFFAOYSA-N
• Boiling Point: 317.5 °C
• Melting Point: -31°C
• Flash Point: >230 °F
• Density: 1.078 g/mL
• Solubility: 4.32e-04 M
• Complexity: 247
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 205-015-8
• Exact Mass: 250.12050905
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 3.27 (LogP)
• Monoisotopic Mass: 250.12050905
• NSC Number: 15314
• Physical State: Liquid
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: 8USP5Y77SS
• Vapor Pressure: 1.32e-04 mmHg
• XLogP3: 4