Chemical Properties of Benzene, 1,2-dichloro-3-nitro-

InChI

InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H

InChI Key

CMVQZRLQEOAYSW-UHFFFAOYSA-N

Formula

C6H3Cl2NO2

SMILES

O=[N+]([O-])c1cccc(Cl)c1Cl

Molecular Weight¹

192.00

Other Names

• 1,2-dichloro-3-nitrobenzene
• 2,3-Dichloro-1-nitrobenzene
• 2,3-dichloronitrobenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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
EA	1.29 ± 0.05	eV	NIST
ΔfH°gas	11.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.31	kJ/mol	Joback Calculated Property
ΔvapH°	67.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	[-3.48; -3.48]
log10WS	-3.48		Aq. Solubility Prediction
log10WS	-3.48		Estimated Solubility
logPoct/wat	2.902		Crippen Calculated Property
McVol	113.540	ml/mol	McGowan Calculated Property
Inp	[241.00; 1344.00]
Inp	1344.00		NIST
Inp	241.00		NIST
Inp	1344.00		NIST
Inp	241.00		NIST
I	[2137.00; 2137.00]
I	2137.00		NIST
I	2137.00		NIST
Tboil	530.70	K	NIST
Tfus	[333.00; 334.98]	K
Tfus	334.90	K	Solubility of Dichloronitrobenzene in Eight Organic Solvents from T = (278.15 to 303.15) K: Measurement and Thermodynamic Modeling
Tfus	334.98	K	Aq. Solubility Prediction
Tfus	333.52 ± 0.25	K	NIST
Tfus	334.05 ± 0.15	K	NIST
Tfus	333.00 ± 2.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.59; 267.04]	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			2.34000e+01
Coefficient B			4.88860e-01
Coefficient C			-3.18920e-04
Coefficient D			7.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.59	J/mol×K	273.00	Calculated Property
Cp,gas	159.70	J/mol×K	353.78	Calculated Property
Cp,gas	181.66	J/mol×K	434.56	Calculated Property
Cp,gas	200.72	J/mol×K	515.33	Calculated Property
Cp,gas	217.10	J/mol×K	596.11	Calculated Property
Cp,gas	231.04	J/mol×K	676.89	Calculated Property
Cp,gas	242.77	J/mol×K	757.67	Calculated Property
Cp,gas	252.52	J/mol×K	838.44	Calculated Property
Cp,gas	260.54	J/mol×K	919.22	Calculated Property
Cp,gas	267.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-dichloro-3-nitro-.

Mixtures

• Ethanol + Benzene, 1,2-dichloro-3-nitro- + Benzene, 1,2-dichloro-4-nitro-
• 1-Propanol + Benzene, 1,2-dichloro-3-nitro- + Benzene, 1,2-dichloro-4-nitro-
• Benzene, 1,2-dichloro-3-nitro- + Methyl Alcohol + Benzene, 1,2-dichloro-4-nitro-
• Benzene, 1,2-dichloro-3-nitro- + Methyl Alcohol
• Benzene, 1,2-dichloro-3-nitro- + Benzene, 1,2-dichloro-4-nitro-
• Benzene, 1,2-dichloro-3-nitro- + Ethyl Acetate
• Benzene, 1,2-dichloro-3-nitro- + Carbon Tetrachloride
• Benzene, 1,2-dichloro-3-nitro- + Cyclohexane
• n-Hexane + Benzene, 1,2-dichloro-3-nitro-
• Benzene, 1,2-dichloro-3-nitro- + Heptane
• 1-Propanol + Benzene, 1,2-dichloro-3-nitro-
• 2-Propanol + Benzene, 1,2-dichloro-3-nitro-
• 1-Butanol + Benzene, 1,2-dichloro-3-nitro-
• Benzene, 1,2-dichloro-3-nitro- + Methyl Alcohol + Water
• Ethanol + Benzene, 1,2-dichloro-3-nitro- + Water

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
• Vapor pressure and isobaric vapor-liquid equilibrium for dichloronitrobenzene isomers
• Determination and modeling of solid-liquid equilibrium for ternary system of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + methanol
• Measurement and calculation of solid liquid equilibrium for ternary systems of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + ethanol/n-propanol
• Solubility of Dichloronitrobenzene in Eight Organic Solvents from T = (278.15 to 303.15) K: Measurement and Thermodynamic Modeling
• Experimental Measurement and Modeling of Solubility Data for 2,3-Dichloronitrobenzene in Methanol, Ethanol, and Liquid Mixtures (Methanol + Water, Ethanol + Water)
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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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