Chemical Properties of Phoxim (CAS 14816-18-3)

InChI

InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3

InChI Key

ATROHALUCMTWTB-UHFFFAOYSA-N

Formula

C12H15N2O3PS

SMILES

CCOP(=S)(OCC)ON=C(C#N)c1ccccc1

Molecular Weight¹

298.30

CAS

14816-18-3

Other Names

• (Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile
• 2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile
• 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide
• 4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitril 4-sulfide
• 4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide
• B 77488
• BAY 5621
• BAY 77488
• BAY SRA 7502
• Bayer 5621
• Bayer 77488
• Bayer 9053
• Baythion
• Benzeneacetonitrile, [[(diethoxyphosphinothioyl)oxy]imino]-
• Benzeneacetonitrile, «alpha»-[[(diethoxyphosphinothioyl)oxy]imino]-
• Benzeneacetonitrile, «alpha»-[[(diethoxyphosphinothioyl)oxy]imino]-
• Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime
• ENT 27488
• Foxim
• Foxima
• Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate
• N-Diethoxyphosphinothioyloxybenzimidoyl cyanide
• O,O-Diaethyl-O-(«alpha»-cyanbenzyliden-amino)-thionphosphat
• O,O-Diaethyl-O-(«alpha»-cyano-benzylidenamino)-monothiophosphat
• O,O-Diaethyl-O-(«alpha»-cyanbenzyliden-amino)-thionphosphat
• O,O-Diaethyl-O-(«alpha»-cyano-benzylidenamino)-monothiophosphat
• O,O-Diethyl O-(«alpha»-cyanobenzylideneamino)phosphorothioate
• O,O-Diethyl O-(«alpha»-cyanobenzylideneamino)phosphorothioate
• O,O-Diethyl phosphorothioate, O-ester with phenylglyoxylonitrile oxime
• O,O-Diethyl «alpha»-cyanobenzylideneamino-oxyphosphonothioate
• O,O-Diethyl «alpha»-cyanobenzylideneamino-oxyphosphonothioate
• O,O-Diethyl-«alpha»-cyanobenzylidineaminooxyphosphonothiate
• O,O-Diethyl-«alpha»-cyanobenzylidineaminooxyphosphonothiate
• OMS 1170
• Phenylglyoxylnitrile oxime O,O-diethyl phosphorothioate
• Phenylglyoxylonitrile Oxime O,O-diethyl phosphorothioate
• Phoxime
• Phoxin
• Sebacil
• Valexon
• Valexone
• Volaton
• «alpha»-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile
• «alpha»-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile

• 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).
• 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).
• 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	0.6852		Relay (... Calculated Property
ΔfG°	121.75	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-124.53	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.32	kJ/mol	Relay (... Calculated Property
IE	8.60	eV	Relay (... Calculated Property
log10WS	[-4.86; -4.86]
log10WS	-4.86		Aq. Sol...
log10WS	-4.86		Estimat...
logPoct/wat	3.228		Crippen Calculated Property
McVol	217.660	ml/mol	McGowan Calculated Property
Pc	1961.46	kPa	Relay (... Calculated Property ⚠️
Tboil	631.22	K	Relay (... Calculated Property
Tc	824.32	K	Relay (... Calculated Property
Tfus	308.46	K	Relay (... Calculated Property
Vc	0.781	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Phoxim.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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