Chemical Properties of 1-(Pentachloroethyl)benzene (CAS 706-93-4)

InChI

InChI=1S/C8H5Cl5/c9-7(10,8(11,12)13)6-4-2-1-3-5-6/h1-5H

InChI Key

AXVLZOYLQOEKAO-UHFFFAOYSA-N

Formula

C8H5Cl5

SMILES

ClC(Cl)(Cl)C(Cl)(Cl)c1ccccc1

Molecular Weight¹

278.39

CAS

706-93-4

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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	[182.04; 357.82]	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			-2.27800e+01
Coefficient B			9.70500e-01
Coefficient C			-8.88200e-04
Coefficient D			2.98300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.04	J/mol×K	273.00	Calculated Property
Cp,gas	222.60	J/mol×K	353.78	Calculated Property
Cp,gas	255.71	J/mol×K	434.56	Calculated Property
Cp,gas	282.30	J/mol×K	515.33	Calculated Property
Cp,gas	303.31	J/mol×K	596.11	Calculated Property
Cp,gas	319.70	J/mol×K	676.89	Calculated Property
Cp,gas	332.40	J/mol×K	757.67	Calculated Property
Cp,gas	342.36	J/mol×K	838.44	Calculated Property
Cp,gas	350.52	J/mol×K	919.22	Calculated Property
Cp,gas	357.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083196; 0.0001876]	Pa×s	[310.65; 601.82]	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			-1.26270e+01
Coefficient B			2.43482e+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.			310.65
Temperature range, max.			601.82
η	0.0083196	Pa×s	310.65	Calculated Property
η	0.0039723	Pa×s	343.00	Calculated Property
η	0.0021544	Pa×s	375.35	Calculated Property
η	0.0012876	Pa×s	407.71	Calculated Property
η	0.0008301	Pa×s	440.06	Calculated Property
η	0.0005683	Pa×s	472.41	Calculated Property
η	0.0004084	Pa×s	504.76	Calculated Property
η	0.0003054	Pa×s	537.11	Calculated Property
η	0.0002361	Pa×s	569.46	Calculated Property
η	0.0001876	Pa×s	601.82	Calculated Property

Similar Compounds

Find more compounds similar to 1-(Pentachloroethyl)benzene.

Sources

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

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