Chemical Properties of N,N-Diphenylcarbamic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C19H12Cl3NO2/c20-15-11-17(22)18(12-16(15)21)25-19(24)23(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H

InChI Key

FRZWCDXDXOIWPL-UHFFFAOYSA-N

Formula

C19H12Cl3NO2

SMILES

O=C(Oc1cc(Cl)c(Cl)cc1Cl)N(c1ccccc1)c1ccccc1

Molecular Weight¹

392.66

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.90	kJ/mol	Joback Calculated Property
log10WS	-7.19		Relay (1.0) Calculated Property
logPoct/wat	6.984		Crippen Calculated Property
McVol	261.430	ml/mol	McGowan Calculated Property
Inp	[2928.00; 2928.00]
Inp	2928.00		NIST
Inp	2928.00		NIST
Tboil	682.74	K	Relay (1.0) Calculated Property
Tfus	396.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.49; 705.81]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.98100e+01
Coefficient B			1.48310e+00
Coefficient C			-9.81480e-04
Coefficient D			2.24000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.49	J/mol×K	273.00	Calculated Property
Cp,gas	391.96	J/mol×K	353.78	Calculated Property
Cp,gas	457.72	J/mol×K	434.56	Calculated Property
Cp,gas	514.49	J/mol×K	515.33	Calculated Property
Cp,gas	562.96	J/mol×K	596.11	Calculated Property
Cp,gas	603.86	J/mol×K	676.89	Calculated Property
Cp,gas	637.89	J/mol×K	757.67	Calculated Property
Cp,gas	665.75	J/mol×K	838.44	Calculated Property
Cp,gas	688.15	J/mol×K	919.22	Calculated Property
Cp,gas	705.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N-Diphenylcarbamic acid, 2,4,5-trichlorophenyl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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