Chemical Properties of Benzenamine, 2-chloro-5-nitro- (CAS 6283-25-6)

InChI

InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2

InChI Key

KWIXNFOTNVKIGM-UHFFFAOYSA-N

Formula

C6H5ClN2O2

SMILES

Nc1cc([N+](=O)[O-])ccc1Cl

Molecular Weight¹

172.57

CAS

6283-25-6

Other Names

• 2-Chloro-5-nitroaniline
• 3-Nitro-6-chloroaniline
• 6-Chloro-3-nitroaniline
• Aniline, 2-chloro-5-nitro-

• 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_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_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5827		Relay (1.0) Calculated Property
ΔfG°	182.86	kJ/mol	Joback Calculated Property
ΔfH°gas	27.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.31	kJ/mol	Joback Calculated Property
ΔsubH°	[100.30; 101.00]	kJ/mol
ΔsubH°	100.30 ± 2.20	kJ/mol	NIST
ΔsubH°	101.00 ± 1.60	kJ/mol	NIST
ΔvapH°	78.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	1.830		Crippen Calculated Property
McVol	111.280	ml/mol	McGowan Calculated Property
Pc	4684.89	kPa	Joback Calculated Property
Tboil	563.03	K	Relay (1.0) Calculated Property
Tc	841.55	K	Relay (1.0) Calculated Property
Tfus	394.44	K	Relay (1.0) Calculated Property
Ttriple	393.39	K	Solubility Measurement and Thermodynamic Model Correlation and Evaluation of 2-Chloro-5-nitroaniline in 12 Pure Solvents
Vc	0.382	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.95; 285.10]	J/mol×K	[635.12; 902.71]
Cp,gas	243.95	J/mol×K	635.12	Joback Calculated Property
Cp,gas	252.54	J/mol×K	679.72	Joback Calculated Property
Cp,gas	260.38	J/mol×K	724.32	Joback Calculated Property
Cp,gas	267.52	J/mol×K	768.91	Joback Calculated Property
Cp,gas	273.99	J/mol×K	813.51	Joback Calculated Property
Cp,gas	279.84	J/mol×K	858.11	Joback Calculated Property
Cp,gas	285.10	J/mol×K	902.71	Joback Calculated Property
ΔsubH	99.30 ± 1.60	kJ/mol	333.00	NIST

Similar Compounds

Find more compounds similar to Benzenamine, 2-chloro-5-nitro-.

Mixtures

• Benzenamine, 2-chloro-5-nitro- + Methyl Alcohol
• Benzenamine, 2-chloro-5-nitro- + Ethanol
• 1-Propanol + Benzenamine, 2-chloro-5-nitro-
• Benzenamine, 2-chloro-5-nitro- + Isopropyl Alcohol
• Benzenamine, 2-chloro-5-nitro- + 1-Butanol
• Toluene + Benzenamine, 2-chloro-5-nitro-
• Benzenamine, 2-chloro-5-nitro- + 2-Pyrrolidinone, 1-methyl-
• Benzenamine, 2-chloro-5-nitro- + Acetone
• Benzenamine, 2-chloro-5-nitro- + 2-Butanone
• Benzenamine, 2-chloro-5-nitro- + 1,4-Dioxane
• Benzenamine, 2-chloro-5-nitro- + Ethyl Acetate
• Benzenamine, 2-chloro-5-nitro- + Acetonitrile

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility Measurement and Thermodynamic Model Correlation and Evaluation of 2-Chloro-5-nitroaniline in 12 Pure Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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