Chemical Properties of Benzenamine, 2,4-dichloro- (CAS 554-00-7)

InChI

InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

InChI Key

KQCMTOWTPBNWDB-UHFFFAOYSA-N

Formula

C6H5Cl2N

SMILES

Nc1ccc(Cl)cc1Cl

Molecular Weight¹

162.02

CAS

554-00-7

Other Names

• 2,4-Dichloranilin
• 2,4-Dichloroaniline
• 2,4-Dichlorobenzenamine
• 2,4-Dichlorophenylamine
• Aniline, 2,4-dichloro-
• o,p-Dichloroaniline

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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).
• 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
ΔfH°gas	30.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.15	kJ/mol	Joback Calculated Property
ΔsubH°	84.70 ± 1.30	kJ/mol	NIST
ΔvapH°	63.47	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	2.576		Crippen Calculated Property
McVol	106.100	ml/mol	McGowan Calculated Property
Inp	[1284.00; 1324.00]
Inp	1323.00		NIST
Inp	1286.00		NIST
Inp	1286.00		NIST
Inp	1286.00		NIST
Inp	1284.00		NIST
Inp	1324.00		NIST
Inp	1287.00		NIST
Inp	1287.00		NIST
Inp	1286.00		NIST
Inp	1323.00		NIST
I	[2203.00; 2203.00]
I	2203.00		NIST
I	2203.00		NIST
I	2203.00		NIST
Tboil	518.20	K	NIST
Tfus	336.00 ± 4.00	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.79; 256.78]	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			2.44000e+01
Coefficient B			4.51400e-01
Coefficient C			-2.83920e-04
Coefficient D			6.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.79	J/mol×K	273.00	Calculated Property
Cp,gas	151.43	J/mol×K	353.78	Calculated Property
Cp,gas	172.27	J/mol×K	434.56	Calculated Property
Cp,gas	190.50	J/mol×K	515.33	Calculated Property
Cp,gas	206.34	J/mol×K	596.11	Calculated Property
Cp,gas	219.99	J/mol×K	676.89	Calculated Property
Cp,gas	231.65	J/mol×K	757.67	Calculated Property
Cp,gas	241.53	J/mol×K	838.44	Calculated Property
Cp,gas	249.84	J/mol×K	919.22	Calculated Property
Cp,gas	256.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2,4-dichloro-.

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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