Chemical Properties of Carbophenothion (CAS 786-19-6)

InChI

InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3

InChI Key

VEDTXTNSFWUXGQ-UHFFFAOYSA-N

Formula

SMILES

CCOP(=S)(OCC)SCSc1ccc(Cl)cc1

Molecular Weight¹

342.87

CAS

786-19-6

Other Names

(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane
Acarithion
Akarithion
Carbofenothion
Carbofenotion
Carbofenthion
Carbophenthion
Dagadip
Dithiophosphate de O,O-diethyle et de (4-chloro-phenyl) thiomethyle
Endyl
Ethyl carbophenothion
Garrathion
Hexathion
Karbofenothion
Lethox
NSC 231691
Nephocarp
O,O-Diaethyl-S-((4-chlor-phenyl-thio)methyl)dithiophosphat
O,O-Diethyl (((p-chlorophenyl)mercapto)methyl) dithiophosphate
O,O-Diethyl S-(((4-chlorophenyl)thio)methyl) dithiophosphate
O,O-Diethyl S-(((p-chlorophenyl)thio)methyl) dithiophosphate
O,O-Diethyl S-(p-Chlorophenylthio)methyl phosphorodithioate
O,O-Diethyl dithiophosphoric acid p-chlorophenylthiomethyl ester
O,O-Diethyl-S-p-chlorfenylthiomethylester kyseliny dithiofosforecne
OMS 244
Oleoakarithion
Phosphorodithioic acid, S-[[(4-chlorophenyl)thio]methyl] O,O-diethyl ester
Phosphorodithioic acid, S-[[(p-chlorophenyl)thio]methyl] O,O-diethyl ester
S-(((4-Chlorophenyl)thio)methyl)diethyl phosphorothiolothionate
S-(4-Chlorophenylthiomethyl) OO-diethyl phosphorodithioate
S-[[(p-Chlorophenyl)thio]methyl] O,O-diethyl phosphorodithioate
Stauffer R-1,303
Stauffer R-1303
Trithion
Trithion miticide
Trithiontylphenol

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).
I_np : Non-polar retention indices.
I : Polar retention indices.
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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.4723		Relay (1.0) Calculated Property
Δ_fG°	-78.73	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
Δ_fH°_gas	-297.43	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	95.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log₁₀WS	[-5.87; -5.74]
log₁₀WS	-5.87		Aq. Solubility Prediction
log₁₀WS	-5.74		Estimated Solubility
logP_oct/wat	5.420		Crippen Calculated Property
McVol	235.580	ml/mol	McGowan Calculated Property
P_c	1953.65	kPa	Relay (1.0-beta) Calculated Property ⚠️
I_np	[2244.00; 2337.00]
I_np	2277.00		NIST
I_np	2337.00		NIST
I_np	2310.00		NIST
I_np	2255.00		NIST
I_np	2290.00		NIST
I_np	2244.00		NIST
I_np	2255.00		NIST
I	3306.00		NIST
T_boil	671.55	K	Relay (1.0) Calculated Property
T_c	841.70	K	Relay (1.0) Calculated Property
T_fus	284.93	K	Relay (1.0) Calculated Property
V_c	0.793	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Carbofenothion sulfoxide.

Carbophenothion sulfone.

Methyl trithion.

Carbophenoxon.

Carbophenoxon sulfoxide.

Carbophenoxon sulfone.

Sulprofos.

Phosalone.

Chlorthiophos.

2'-Deoxyinosine, tris(trimethylsilyl) derivative.

oxazolam, acetylated.

Maprotiline M(HO-ethanediyl), diacetylated.

N-Desmethyl mianserin.

Dibenzepin M(Nor), acetylated.

Ketazolam.

Find more compounds similar to Carbophenothion.

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

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.