Chemical Properties of Imidodicarbonimidic diamide, N-(3,4-dichlorophenyl)-N'-(1-methylethyl)- (CAS 537-21-3)

InChI

InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)

InChI Key

ISZNZKHCRKXXAU-UHFFFAOYSA-N

Formula

C11H15Cl2N5

SMILES

CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1

Molecular Weight¹

288.18

CAS

537-21-3

Other Names

• Chlorproguanil
• 1-(3,4-Dichlorophenyl)-5-isopropylbiguanide
• M-5943

• ω : Acentric Factor.
• 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_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	0.8781		Relay (1.0) Calculated Property
ΔfG°	783.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-20.76	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	130.53	kJ/mol	Relay (1.0) Calculated Property
IE	7.44	eV	Relay (1.0) Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	2.862		Crippen Calculated Property
McVol	207.870	ml/mol	McGowan Calculated Property
Pc	4364.07	kPa	Relay (1.0-beta) Calculated Property
Inp	[1621.00; 1621.00]
Inp	1621.00		NIST
Inp	1621.00		NIST
Tboil	591.14	K	Relay (1.0) Calculated Property
Tc	984.45	K	Relay (1.0) Calculated Property
Tfus	453.53	K	Relay (1.0) Calculated Property
Vc	0.692	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[88.02; 580.62]	J/mol×K	[100.12; 881.33]
Cp,gas	88.02	J/mol×K	100.12	Joback Calculated Property
Cp,gas	88.02	J/mol×K	100.12	Joback Calculated Property
Cp,gas	88.02	J/mol×K	100.12	Joback Calculated Property
Cp,gas	88.02	J/mol×K	100.12	Joback Calculated Property
Cp,gas	88.02	J/mol×K	100.12	Joback Calculated Property
Cp,gas	88.02	J/mol×K	100.12	Joback Calculated Property
Cp,gas	580.62	J/mol×K	881.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Imidodicarbonimidic diamide, N-(3,4-dichlorophenyl)-N'-(1-methylethyl)-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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