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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5173		Relay (... Calculated Property
ΔfG°	-117.57	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-521.53	kJ/mol	Relay (... Calculated Property
ΔvapH°	71.91	kJ/mol	Relay (... Calculated Property
IE	7.68	eV	Relay (... Calculated Property
log10WS	-0.98		Relay (... Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	1883.01	kPa	Relay (... 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	1708.00		NIST
Inp	1667.00		NIST
I	[2275.30; 2275.30]
I	2275.30		NIST
I	2275.30		NIST
Tboil	569.93	K	Relay (... Calculated Property
Tc	718.51	K	Relay (... Calculated Property
Tfus	246.79	K	Relay (... Calculated Property
Vc	0.798	m3/kmol	Relay (... Calculated Property

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	Thermop...
γ	0.03	N/m	283.15	Thermop...
γ	0.03	N/m	298.15	Thermop...
γ	0.03	N/m	308.15	Thermop...
γ	0.03	N/m	323.15	Thermop...

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

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