Chemical Properties of Anilofos (CAS 64249-01-0)

InChI

InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3

InChI Key

NXQDBZGWYSEGFL-UHFFFAOYSA-N

Formula

C13H19ClNO3PS2

SMILES

COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C

Molecular Weight¹

367.85

CAS

64249-01-0

Other Names

• N-(4-chlorophenyl)-2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide
• S-[2-[(4-chlorophenyl)(isopropyl)amino]-2-oxoethyl] O,O-dimethyl dithiophosphate

• 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.
• 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	0.6114		Relay (1.0) Calculated Property
ΔfG°	-55.23	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-467.00	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	96.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	[-4.43; -4.43]
log10WS	-4.43		Aq. Solubility Prediction
log10WS	-4.43		Estimated Solubility
logPoct/wat	4.332		Crippen Calculated Property
McVol	258.960	ml/mol	McGowan Calculated Property
Pc	1632.74	kPa	Relay (1.0-beta) Calculated Property
Inp	2512.00		NIST
Tboil	659.69	K	Relay (1.0) Calculated Property
Tc	885.90	K	Relay (1.0) Calculated Property
Tfus	351.59	K	Relay (1.0) Calculated Property
Vc	0.886	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Anilofos.

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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