Chemical Properties of 2,5-Dichloro-4-nitroaniline

InChI

InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2

InChI Key

JBXZCPXEYAEMJS-UHFFFAOYSA-N

Formula

C6H4Cl2N2O2

SMILES

Nc1cc(Cl)c([N+](=O)[O-])cc1Cl

Molecular Weight¹

207.02

Other Names

• 1-Amino-2,5-dichloro-4-nitrobenzene
• 2,5-dichloro-4-nitrobenzenamine
• Aniline, 2,5-dichloro-4-nitro-
• benzenamine, 2,5-dichloro-4-nitro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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_sub : Sublimation pressure (kPa).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	113.20 ± 0.60	kJ/mol	363.00	NIST
Psub	[9.60e-05; 9.69e-04]	kPa	[352.27; 374.08]
Psub	9.60e-05	kPa	352.27	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.01e-04	kPa	352.27	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	9.80e-05	kPa	352.27	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.29e-04	kPa	354.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.27e-04	kPa	354.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.25e-04	kPa	354.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.51e-04	kPa	356.14	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.53e-04	kPa	356.14	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.54e-04	kPa	356.14	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.84e-04	kPa	358.15	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.88e-04	kPa	358.15	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	1.88e-04	kPa	358.15	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	2.47e-04	kPa	360.19	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	2.44e-04	kPa	360.19	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	2.41e-04	kPa	360.19	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	2.93e-04	kPa	362.23	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	2.89e-04	kPa	362.23	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	2.80e-04	kPa	362.23	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	3.49e-04	kPa	364.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	3.57e-04	kPa	364.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	3.62e-04	kPa	364.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	4.22e-04	kPa	366.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	4.34e-04	kPa	366.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	4.28e-04	kPa	366.20	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	5.46e-04	kPa	368.17	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	5.43e-04	kPa	368.17	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	5.29e-04	kPa	368.17	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	6.52e-04	kPa	370.15	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	6.66e-04	kPa	370.15	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	6.67e-04	kPa	370.15	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	7.75e-04	kPa	372.17	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	7.79e-04	kPa	372.17	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	7.74e-04	kPa	372.17	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	9.66e-04	kPa	374.08	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	9.69e-04	kPa	374.08	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
Psub	9.53e-04	kPa	374.08	Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.51; 299.97]	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			4.41900e+01
Coefficient B			4.91260e-01
Coefficient C			-2.95280e-04
Coefficient D			5.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.51	J/mol×K	273.00	Calculated Property
Cp,gas	183.68	J/mol×K	353.78	Calculated Property
Cp,gas	206.82	J/mol×K	434.56	Calculated Property
Cp,gas	227.12	J/mol×K	515.33	Calculated Property
Cp,gas	244.78	J/mol×K	596.11	Calculated Property
Cp,gas	259.97	J/mol×K	676.89	Calculated Property
Cp,gas	272.90	J/mol×K	757.67	Calculated Property
Cp,gas	283.75	J/mol×K	838.44	Calculated Property
Cp,gas	292.71	J/mol×K	919.22	Calculated Property
Cp,gas	299.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dichloro-4-nitroaniline.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines
• Joback Method
• McGowan Method
• NIST Webbook

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