Chemical Properties of Butamifos (CAS 36335-67-8)

InChI

InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)

InChI Key

OEYOMNZEMCPTKN-UHFFFAOYSA-N

Formula

C13H21N2O4PS

SMILES

CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]

Molecular Weight¹

332.36

CAS

36335-67-8

Other Names

• Phosphoramidothioic acid, N-(sec-butyl)-, O-ethyl O-(6-nitro-m-tolyl) ester
• Cremart
• O-Ethyl O-(3-methyl-6-nitrophenyl) N-sec-butylphosphorothioamidate
• O-Ethyl-O-(5-methyl-2-nitrophenyl)(1-methylpropyl)phosphoramidothioate
• H 26905
• Hercules 26905
• Kremart
• Metacrefos
• Phosphoramidothioic acid, (1-methylpropyl)-, O-ethyl O-(5-methyl-2-nitrophenyl) ester
• S 28
• S 2846
• S 28 (pesticide)
• Phosphoramidothioic acid, N-(1-methylpropyl)-, O-ethyl O-(5-methyl-2-nitrophenyl) ester

• 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	0.7472		Relay (1.0) Calculated Property
ΔfG°	31.28	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-385.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	90.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	3.931		Crippen Calculated Property
McVol	246.220	ml/mol	McGowan Calculated Property
Pc	1717.24	kPa	Relay (1.0-beta) Calculated Property ⚠️
Inp	[2138.00; 2190.90]
Inp	2138.00		NIST
Inp	2145.00		NIST
Inp	2190.90		NIST
Inp	2178.00		NIST
Inp	2145.00		NIST
Inp	2138.00		NIST
Inp	2178.00		NIST
Inp	2138.00		NIST
Tboil	628.13	K	Relay (1.0) Calculated Property
Tc	882.51	K	Relay (1.0) Calculated Property
Tfus	311.28	K	Relay (1.0) Calculated Property
Vc	0.857	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Butamifos.

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
• McGowan Method
• NIST Webbook

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