Chemical Properties of VX (CAS 50782-69-9)

InChI

InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3

InChI Key

JJIUCEJQJXNMHV-UHFFFAOYSA-N

Formula

C11H26NO2PS

SMILES

CCOP(C)(=O)SCCN(C(C)C)C(C)C

Molecular Weight¹

267.37

CAS

50782-69-9

Other Names

• A 4
• MPT
• Methyl-phosphonothioic acid S-(2-diisopropylamino-ethyl) ester O-ethyl ester
• Methylthiophosphonic acid, O-ethyl-S-[2-(N,N-diisopropylamino)ethyl] ester
• O-Ethyl S-2-diisopropylaminoethyl methylphosphonothiolate
• O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate
• O-ethyl S-(2-diisopropylaminoethyl) methylthiophosphonate
• O-ethyl S-diisopropylaminoethyl methylphosphonothioate
• O-ethyl-S-[2-(N,N-diisopropylamino)ethyl] methylthiophosphon
• Phosphonohioic acid, methyl, O-ethyl-S-(2-diisopropylaminoethyl) ester
• Phosphonothioic acid, P-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester
• S-2-diisopropylaminoethyl O-ethyl methylphosphonothioate
• S-[2-(Diisopropylamino)ethyl] o-ethyl methylphosphonothioate
• S-[2-(diisopropylamino)ethyl] O-ethyl methylphosphonothiolate
• VX agent
• VX vapor
• phosphonothioic acid, methyl-, S-[2-[bis(1-methylethyl)amino]ethyl] O-ethyl ester
• tx 60

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	3.698		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Inp	[1664.00; 1713.00]
Inp	1664.00		NIST
Inp	1713.00		NIST
Inp	1667.00		NIST
Inp	1705.00		NIST
Inp	1664.10		NIST
Inp	1710.10		NIST
Inp	1667.00		NIST
Inp	1713.00		NIST
Inp	1708.00		NIST
Inp	1704.00		NIST
Inp	1713.00		NIST
Inp	1667.00		NIST
Inp	1708.00		NIST
I	[2275.30; 2275.30]
I	2275.30		NIST
I	2275.30		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	[77.90; 101.00]	kJ/mol	[297.50; 323.00]
ΔvapH	101.00	kJ/mol	297.50	NIST
ΔvapH	77.90	kJ/mol	323.00	NIST
γ	[0.03; 0.03]	N/m	[273.15; 323.15]
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	0.03	N/m	323.15	Thermophysical Properties of VX and RVX

Similar Compounds

Find more compounds similar to VX.

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
• Thermophysical Properties of VX and RVX
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.