diethyl decylphosphonate

• ChemBase ID: 74917
• Molecular Formular: C14H31O3P
• Molecular Mass: 278.367901
• Monoisotopic Mass: 278.20108148
• SMILES: P(=O)(OCC)(OCC)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCP(=O)(OCC)OCC
• InChI: InChI=1S/C14H31O3P/c1-4-7-8-9-10-11-12-13-14-18(15,16-5-2)17-6-3/h4-14H2,1-3H3
• InChIKey: HYQXIVAZQBYBAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl decylphosphonate
• IUPAC Traditional name: diethyl decylphosphonate
• Synonyms: Diethyl(1-decyl)phosphonate; 1-Decylphosphonic acid diethyl ester; Diethyl 1-decanephosphonate; Diethyl 1-decylphosphonate; 1-癸基膦酸二乙酯

Database IDs

• CAS Number: 16165-68-7
• MDL Number: MFCD00015593
• Beilstein Number: 1784261
• PubChem SID: 162039835
• PubChem CID: 2773697

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3985195
• LogD (pH = 7.4): 4.3985195
• Log P: 4.3985195
• Molar Refractivity: 77.2432 cm^3
• Polarizability: 31.177801 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 128-130°C/0.2mm
• Refractive Index: 1.4390

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%