Dipropyl phthalate

• CAS: 131-16-8
• Catalog Number: ACM131168-1
• Category: Polymer/Macromolecule
• Molecular Weight: 250.29
• Molecular Formula: C14H18O4
• Description: Di-n-propyl phthalate is a colorless liquid. (NTP, 1992)
• Synonyms: Di-n-propylphthalate
• IUPAC Name: Dipropyl benzene-1,2-dicarboxylate
• 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

Custom Q&A

What is the molecular formula of dipropyl phthalate?

The molecular formula of dipropyl phthalate is C14H18O4.

What is the molecular weight of dipropyl phthalate?

The molecular weight of dipropyl phthalate is 250.29 g/mol.

What are some synonyms for dipropyl phthalate?

Some synonyms for dipropyl phthalate include Di-n-propylphthalate and DI-N-PROPYL PHTHALATE.

What is the IUPAC name of dipropyl phthalate?

The IUPAC name of dipropyl phthalate is dipropyl benzene-1,2-dicarboxylate.

What is the InChIKey of dipropyl phthalate?

The InChIKey of dipropyl phthalate is MQHNKCZKNAJROC-UHFFFAOYSA-N.

What is the Canonical SMILES of dipropyl phthalate?

The Canonical SMILES of dipropyl phthalate is CCCOC(=O)C1=CC=CC=C1C(=O)OCCC.

What is the CAS number of dipropyl phthalate?

The CAS number of dipropyl phthalate is 131-16-8.

How many hydrogen bond acceptor counts does dipropyl phthalate have?

Dipropyl phthalate has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does dipropyl phthalate have?

Dipropyl phthalate has 8 rotatable bond counts.

What is the topological polar surface area of dipropyl phthalate?

The topological polar surface area of dipropyl phthalate is 52.6 Ų.