Chemical Properties of Pinacolyl ethylphosphonofluoridate (CAS 97931-20-9)

InChI

InChI=1S/C8H18FO2P/c1-6-12(9,10)11-7(2)8(3,4)5/h7H,6H2,1-5H3

InChI Key

JAUUZXIIPYQPGA-UHFFFAOYSA-N

Formula

C8H18FO2P

SMILES

CCP(=O)(F)OC(C)C(C)(C)C

Molecular Weight¹

196.20

CAS

97931-20-9

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	3.620		Crippen Calculated Property
McVol	157.550	ml/mol	McGowan Calculated Property
Inp	[1141.00; 1141.40]
Inp	1141.00		NIST
Inp	1141.40		NIST
Inp	1141.00		NIST

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Similar Compounds

Find more compounds similar to Pinacolyl ethylphosphonofluoridate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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