Chemical Properties of Acephate (CAS 30560-19-1)

InChI

InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)

InChI Key

YASYVMFAVPKPKE-UHFFFAOYSA-N

Formula

C4H10NO3PS

SMILES

COP(=O)(NC(C)=O)SC

Molecular Weight¹

183.17

CAS

30560-19-1

Other Names

• 75 SP
• Acefate
• Acephat
• Acetamidophos
• Acetylphosphoramidothioic acid O,S-dimethyl ester
• Chevron RE 12,420
• ENT 27822
• N-(Methoxy(methylthio)phosphinoyl)acetamide
• O,S-Dimethyl N-acetylphosphoramidothioate
• O,S-Dimethyl acetylamidothiophosphate
• O,S-Dimethyl acetylphosphoramidothioate
• O,S-Dimethylacetylphosphoroamidothioate
• O,S-dimethyl N-acetylphosphoramidothiolate
• ORTHO 124120
• Orthene
• Orthene-755
• Ortran
• Ortril
• Phosphoramidothioic acid, N-acetyl-, O,S-dimethyl ester
• Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester
• RE 12420

• 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	0.4816		Relay (... Calculated Property
ΔfG°	-272.75	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-602.60	kJ/mol	Relay (... Calculated Property
ΔvapH°	70.96	kJ/mol	Relay (... Calculated Property
IE	9.14	eV	Relay (... Calculated Property
log10WS	[0.54; 0.54]
log10WS	0.54		Aq. Sol...
log10WS	0.54		Estimat...
logPoct/wat	1.240		Crippen Calculated Property
McVol	127.320	ml/mol	McGowan Calculated Property
Pc	3372.53	kPa	Relay (... Calculated Property ⚠️
Inp	[1423.00; 1456.00]
Inp	1423.00		NIST
Inp	1437.00		NIST
Inp	1440.00		NIST
Inp	1456.00		NIST
Inp	1452.00		NIST
Inp	1436.00		NIST
Inp	1440.00		NIST
Tboil	541.61	K	Relay (... Calculated Property
Tc	729.99	K	Relay (... Calculated Property
Tfus	365.10 ± 0.20	K	NIST
Vc	0.459	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Acephate.

Mixtures

• Ethyl Acetate + Acephate
• Acetone + Acephate
• Isopropyl Alcohol + Acephate
• Methylene chloride + Acephate

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
• Solubility of Acephate in Different Solvents from (292.90 to 327.60) K
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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