Chemical Properties of 2-Chloro-4-iodotoluene (CAS 83846-48-4)

InChI

InChI=1S/C7H6ClI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

InChI Key

PJYASWQMTNNSSL-UHFFFAOYSA-N

Formula

C7H6ClI

SMILES

Cc1ccc(I)cc1Cl

Molecular Weight¹

252.48

CAS

83846-48-4

Other Names

• Benzene, 2-chloro-4-iodo-1-methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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, 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	[132.31; 273.30]	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			1.58000e+01
Coefficient B			5.16720e-01
Coefficient C			-3.55920e-04
Coefficient D			9.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.31	J/mol×K	273.00	Calculated Property
Cp,gas	158.34	J/mol×K	353.78	Calculated Property
Cp,gas	181.07	J/mol×K	434.56	Calculated Property
Cp,gas	200.80	J/mol×K	515.33	Calculated Property
Cp,gas	217.83	J/mol×K	596.11	Calculated Property
Cp,gas	232.48	J/mol×K	676.89	Calculated Property
Cp,gas	245.04	J/mol×K	757.67	Calculated Property
Cp,gas	255.83	J/mol×K	838.44	Calculated Property
Cp,gas	265.15	J/mol×K	919.22	Calculated Property
Cp,gas	273.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021012; 0.0002728]	Pa×s	[308.09; 550.85]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.07977e+01
Coefficient B			1.42720e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			308.09
Temperature range, max.			550.85
η	0.0021012	Pa×s	308.09	Calculated Property
η	0.0014471	Pa×s	335.06	Calculated Property
η	0.0010536	Pa×s	362.04	Calculated Property
η	0.0008016	Pa×s	389.01	Calculated Property
η	0.0006319	Pa×s	415.98	Calculated Property
η	0.0005128	Pa×s	442.96	Calculated Property
η	0.0004262	Pa×s	469.93	Calculated Property
η	0.0003614	Pa×s	496.90	Calculated Property
η	0.0003117	Pa×s	523.87	Calculated Property
η	0.0002728	Pa×s	550.85	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-4-iodotoluene.

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

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