Chemical Properties of Benzenamine, 2,3-dichloro- (CAS 608-27-5)

InChI

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

InChI Key

BRPSAOUFIJSKOT-UHFFFAOYSA-N

Formula

C6H5Cl2N

SMILES

Nc1cccc(Cl)c1Cl

Molecular Weight¹

162.02

CAS

608-27-5

Other Names

• Aniline, 2,3-dichloro-
• 2,3-Dichloroaniline

• 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_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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4477		Relay (1.0) Calculated Property
ΔfG°	135.38	kJ/mol	Joback Calculated Property
ΔfH°gas	23.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.15	kJ/mol	Joback Calculated Property
ΔsubH°	82.20 ± 1.00	kJ/mol	NIST
ΔvapH°	62.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-2.23		Relay (1.0) Calculated Property
logPoct/wat	2.576		Crippen Calculated Property
McVol	106.100	ml/mol	McGowan Calculated Property
Pc	4385.77	kPa	Joback Calculated Property
Inp	[1301.00; 1312.70]
Inp	1312.70		NIST
Inp	1301.00		NIST
Inp	1302.00		NIST
Inp	1306.00		NIST
Inp	1306.00		NIST
Inp	1312.70		NIST
Inp	1301.00		NIST
Inp	1306.00		NIST
I	[2261.00; 2261.00]
I	2261.00		NIST
I	2261.00		NIST
I	2261.00		NIST
Tboil	525.20	K	NIST
Tc	801.27	K	Relay (1.0) Calculated Property
Tfus	326.67	K	Relay (1.0) Calculated Property
Vc	0.369	m3/kmol	Relay (1.0) Calculated Property

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, 2,3-dichloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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