Chemical Properties of Acetamide, 2,2-dichloro-N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)- (CAS 27541-88-4)

InChI

InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)

InChI Key

ZIEWAMOXCOLNSJ-UHFFFAOYSA-N

Formula

C12H6Cl3NO3

SMILES

O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21

Molecular Weight¹

318.54

CAS

27541-88-4

Other Names

• Acetamide, 2,2-dichloro-N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthyl)-
• Alginex
• Chinonamid
• 2-(Dichloroacetylamino)-3-chloronaphthoquinone
• 2,2-Dichloro-N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)acetamide
• 2,2-Dichloro-N-(3-chloronaphthoquinon-2-yl)acetamide
• HOE 134650H
• 1,4-Naphthoquinone, 2-chloro-3-(2,2-dichloroacetamido)-
• Quinonamid
• 2,2-Dichloro-N-(3-chloro-1,4-dioxo-2-naphthyl)acetamide
• 2,2-dichloro-N-(3-chloro-1,4-naphthoquinon-2-yl)acetamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	-102.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-331.14	kJ/mol	Joback Calculated Property
ΔfusH°	30.68	kJ/mol	Joback Calculated Property
ΔvapH°	81.70	kJ/mol	Joback Calculated Property
log10WS	-4.40		Crippen Calculated Property
logPoct/wat	2.436		Crippen Calculated Property
McVol	192.430	ml/mol	McGowan Calculated Property
Pc	3028.94	kPa	Joback Calculated Property
Inp	[2488.00; 2488.00]
Inp	2488.00		NIST
Inp	2488.00		NIST
Tboil	881.95	K	Joback Calculated Property
Tc	1147.96	K	Joback Calculated Property
Tfus	622.19	K	Joback Calculated Property
Vc	0.732	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[483.92; 516.09]	J/mol×K	[881.95; 1147.96]
Cp,gas	483.92	J/mol×K	881.95	Joback Calculated Property
Cp,gas	492.45	J/mol×K	926.29	Joback Calculated Property
Cp,gas	499.73	J/mol×K	970.62	Joback Calculated Property
Cp,gas	505.73	J/mol×K	1014.96	Joback Calculated Property
Cp,gas	510.47	J/mol×K	1059.29	Joback Calculated Property
Cp,gas	513.92	J/mol×K	1103.63	Joback Calculated Property
Cp,gas	516.09	J/mol×K	1147.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2,2-dichloro-N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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