Monobenzyl phthalate

• CAS: 2528-16-7
• Catalog Number: ACM2528167-2
• Category: Other Products
• Molecular Weight: 256.25
• Molecular Formula: C15H12O4
• Synonyms: Benzyl hydrogen phthalate
• IUPAC Name: 2-Phenylmethoxycarbonylbenzoic acid
• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O
• InChI: InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
• InChI Key: XIKIUQUXDNHBFR-UHFFFAOYSA-N
• Boiling Point: 359.49 °C
• Melting Point: 106 °C
• Density: 1.2390 g/cm3
• Appearance: White Solid
• Complexity: 320
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 256.07355886
• Formal Charge: 0
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 256.07355886
• Physical State: Solid
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 63.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Reviews

July 19, 2023

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Custom Q&A

Does monobenzyl phthalate have reciprocal isomers?

No

Is there a charge on the surface of monobenzyl phthalate?

No

What is the boiling point of monobenzyl phthalate?

441.1±28.0 °C at 760 mmHg

What is the complexity of monobenzyl phthalate?

320

What is the isotropic specific volume of monobenzyl phthalate?

546.3

What is the number of heavy atoms in monobenzyl phthalate?

19

What is the polarization rate of monobenzyl phthalate?

27.52

What is the PSA of monobenzyl phthalate?

63.6

What is the surface tension of monobenzyl phthalate?

55.0 dyne/cm

What is the vapor pressure of monobenzyl phthalate?

0.0±1.1 mmHg at 25°C