dibutyl phosphate

• ChemBase ID: 797510
• Molecular Formular: C8H18O4P-
• Molecular Mass: 209.199881
• Monoisotopic Mass: 209.09427069
• SMILES: O(P(=O)(OCCCC)[O-])CCCC
• Canonical SMILES: CCCCOP(=O)(OCCCC)[O-]
• InChI: InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)/p-1
• InChIKey: JYFHYPJRHGVZDY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl phosphate
• IUPAC Traditional name: dibutyl phosphate
• Synonyms: Dibutyl phosphate

Database IDs

• CAS Number: 107-66-4

CALCULATED PROPERTIES

• Acid pKa: 1.94101
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.034722295
• LogD (pH = 7.4): 0.0075742826
• Log P: 2.3836157
• Molar Refractivity: 50.242 cm^3
• Polarizability: 20.542587 Å^3
• Polar Surface Area: 58.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%