Chemical Properties of Benzoyl chloride, 4-iodo- (CAS 1711-02-0)

InChI

InChI=1S/C7H4ClIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H

InChI Key

NJAKCIUOTIPYED-UHFFFAOYSA-N

Formula

C7H4ClIO

SMILES

O=C(Cl)c1ccc(I)cc1

Molecular Weight¹

266.46

CAS

1711-02-0

Other Names

• 4-Iodobenzoyl chloride
• p-Iodobenzoyl chloride
• Benzoyl chloride, p-iodo-

• 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_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.68; 265.36]	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			8.86000e+00
Coefficient B			5.48200e-01
Coefficient C			-4.04260e-04
Coefficient D			1.12560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.68	J/mol×K	273.00	Calculated Property
Cp,gas	157.19	J/mol×K	353.78	Calculated Property
Cp,gas	179.98	J/mol×K	434.56	Calculated Property
Cp,gas	199.41	J/mol×K	515.33	Calculated Property
Cp,gas	215.84	J/mol×K	596.11	Calculated Property
Cp,gas	229.62	J/mol×K	676.89	Calculated Property
Cp,gas	241.10	J/mol×K	757.67	Calculated Property
Cp,gas	250.65	J/mol×K	838.44	Calculated Property
Cp,gas	258.62	J/mol×K	919.22	Calculated Property
Cp,gas	265.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027900; 0.0003139]	Pa×s	[337.70; 590.20]	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			-1.09888e+01
Coefficient B			1.72465e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			337.70
Temperature range, max.			590.20
η	0.0027900	Pa×s	337.70	Calculated Property
η	0.0018857	Pa×s	365.76	Calculated Property
η	0.0013477	Pa×s	393.81	Calculated Property
η	0.0010072	Pa×s	421.87	Calculated Property
η	0.0007805	Pa×s	449.92	Calculated Property
η	0.0006233	Pa×s	477.98	Calculated Property
η	0.0005103	Pa×s	506.03	Calculated Property
η	0.0004266	Pa×s	534.09	Calculated Property
η	0.0003631	Pa×s	562.14	Calculated Property
η	0.0003139	Pa×s	590.20	Calculated Property

Similar Compounds

Find more compounds similar to Benzoyl chloride, 4-iodo-.

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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