Chemical Properties of N,N-Diphenylcarbamic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C19H11Cl4NO2/c20-14-11-15(21)18(17(23)16(14)22)26-19(25)24(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H

InChI Key

KXDCOQMCUIBZCZ-UHFFFAOYSA-N

Formula

C19H11Cl4NO2

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)N(c1ccccc1)c1ccccc1

Molecular Weight¹

427.11

• 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_fusH° : Enthalpy of fusion 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	0.8272		Relay (1.0) Calculated Property
ΔfG°	236.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-72.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.13	kJ/mol	Joback Calculated Property
ΔvapH°	122.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-8.04		Relay (1.0) Calculated Property
logPoct/wat	7.637		Crippen Calculated Property
McVol	273.670	ml/mol	McGowan Calculated Property
Pc	2041.91	kPa	Joback Calculated Property
Inp	[3059.00; 3059.00]
Inp	3059.00		NIST
Inp	3059.00		NIST
Tboil	694.25	K	Relay (1.0) Calculated Property
Tc	1090.46	K	Relay (1.0) Calculated Property
Tfus	414.54	K	Relay (1.0) Calculated Property
Vc	0.972	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.77; 743.77]	J/mol×K	[972.53; 1238.98]
Cp,gas	704.77	J/mol×K	972.53	Joback Calculated Property
Cp,gas	713.73	J/mol×K	1016.94	Joback Calculated Property
Cp,gas	721.57	J/mol×K	1061.35	Joback Calculated Property
Cp,gas	728.38	J/mol×K	1105.76	Joback Calculated Property
Cp,gas	734.29	J/mol×K	1150.16	Joback Calculated Property
Cp,gas	739.38	J/mol×K	1194.57	Joback Calculated Property
Cp,gas	743.77	J/mol×K	1238.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to N,N-Diphenylcarbamic acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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