Chemical Properties of Diethyl 2-methylbenzylphosphonate (CAS 62778-16-9)

Diethyl 2-methylbenzylphosphonate

InChI
InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3
InChI Key
SAVIMLRIKAZZCZ-UHFFFAOYSA-N
Formula
C12H19O3P
SMILES
CCOP(=O)(Cc1ccccc1C)OCC
Molecular Weight1
242.25
CAS
62778-16-9
Other Names
  • Diethyl O-methylbenzylphosphonate
  • Phosphonic acid, [(2-methylphenyl)methyl]-, diethyl ester
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Physical Properties

Property Value Unit Source
ω 0.5722 Relay (1.0) Calculated Property
ΔfG° -190.72 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -554.98 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 83.23 kJ/mol Relay (1.0) Calculated Property
IE 8.46 eV Relay (1.0) Calculated Property
log10WS -1.93 Relay (1.0) Calculated Property
logPoct/wat 3.761 Crippen Calculated Property
McVol 194.250 ml/mol McGowan Calculated Property
Pc 2069.14 kPa Relay (1.0-beta) Calculated Property
Tboil 594.90 K Relay (1.0) Calculated Property
Tc 764.52 K Relay (1.0) Calculated Property
Tfus 264.56 K Relay (1.0) Calculated Property
Vc 0.713 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Phosphonic acid, (phenylmethyl)-, diethyl ester. diethyl (4-methylbenzyl)phosphonate. diethyl 4-chlorobenzylphosphonate. Dibutyl benzylphosphonate. Diethyl p-aminobenzylphosphonate. Diethyl (4-biphenylylmethyl)phosphonate. (o-Methyl-Benzoyl)-phosphonic acid diethyl ester. {P-[bis(2-hydroxyethyl)amino]benzyl}phosphonic acid, diethyl ester. 2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole. Norhydrocodone. Quinapril Me. trans-2,3-Tetralinediol, ferrocenylboronate. 9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate. Serotonin, N-isoBOC, O-TBDMS. L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester.

Find more compounds similar to Diethyl 2-methylbenzylphosphonate.

Sources

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