Chemical Properties of Phosphonothioic acid, methyl-, S-(2-diethylaminoethyl), O-2-methylpropyl ester (CAS 159939-87-4)

Phosphonothioic acid, methyl-, S-(2-diethylaminoethyl), O-2-methylpropyl ester

InChI
InChI=1S/C11H26NO2PS/c1-6-12(7-2)8-9-16-15(5,13)14-10-11(3)4/h11H,6-10H2,1-5H3
InChI Key
MNLAVFKVRUQAKW-UHFFFAOYSA-N
Formula
C11H26NO2PS
SMILES
CCN(CC)CCSP(C)(=O)OCC(C)C
Molecular Weight1
267.37
CAS
159939-87-4
Other Names
  • O-(2-methylpropyl) S-[2-(diethylamino)ethyl] methylphosphonothiolate
  • O-(iso-Butyl) S-(2-diethylaminoethyl) methylphosphonothiolate
  • O-isobutyl S-2-diethylaminoethyl methylphosphonothiolate
  • P-methylphosphonothioic acid, S-[2(diethylamino)ethyl] O-(2-methylpropyl) ester
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Physical Properties

Property Value Unit Source
logPoct/wat 3.557 Crippen Calculated Property
McVol 224.380 ml/mol McGowan Calculated Property
Inp [1689.00; 1689.00]   Show Hide
Inp 1689.00 NIST
Inp 1689.00 NIST
Inp 1689.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 76.60 kJ/mol 324.00 NIST
γ [0.02; 0.03] N/m [273.15; 323.15] Show Hide
γ 0.03 N/m 273.15 Thermophysical Properties of VX and RVX
γ 0.03 N/m 283.15 Thermophysical Properties of VX and RVX
γ 0.03 N/m 298.15 Thermophysical Properties of VX and RVX
γ 0.03 N/m 308.15 Thermophysical Properties of VX and RVX
γ 0.02 N/m 323.15 Thermophysical Properties of VX and RVX

Similar Compounds

Phosphonothioic acid, methyl-, S-(2-(diethylamino)ethyl) O-ethyl ester. VX. Methylthiophosphonic acid, O-isobutyl, S-2-(2-(diethylaminoethylthio)ethyl) ester. Methylthiophosphonic acid, O-isobutyl, S-(2-(2-(2-diethylaminoethylthio)ethylthio)ethylthio. O-Ethyl S-2-diethylaminoethyl ethylphosphonothiolate. O-Ethyl S-2-dimethylaminoethyl methylphosphonothiolate. O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate. O-Ethyl S-2-dimethylaminoethyl ethylphosphonothiolate. O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate. O-Methyl S-2-diethylaminoethyl ethylphosphonothiolate. O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate. Piperophos oxon. Methylthophosphonic acid, O-isobutyl S-(2-diethylaminoethyl) ester. O-Methyl S-2-diisopropylaminoethyl ethylphosphonothiolate. O-Ethyl S-[5-(diisopropylamino)-3-thiapentyl]methylphosphonothiolate.

Find more compounds similar to Phosphonothioic acid, methyl-, S-(2-diethylaminoethyl), O-2-methylpropyl ester.

Sources

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