Chemical Properties of 1,1'-Biphenyl, 2,2',3,3',4,4',5,5'-octachloro-

InChI

InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H

InChI Key

DTMRKGRREZAYAP-UHFFFAOYSA-N

Formula

C12H2Cl8

SMILES

Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

429.77

Other Names

• 1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene
• 2,2',3,3',4,4',5,5'-Octachloro-1,1'-biphenyl
• 2,2',3,3',4,4',5,5'-Octachlorobiphenyl
• 2,2',3,3',4,4',5,5'-PCB
• 2,3,4,5,2',3',4',5'-Octachlorobiphenyl
• PCB 194

• 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).
• I_np : Non-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	12.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.38	kJ/mol	Joback Calculated Property
ΔvapH°	116.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	[-9.16; -9.16]
log10WS	-9.16		Aq. Solubility Prediction
log10WS	-9.16		Estimated Solubility
logPoct/wat	8.581		Crippen Calculated Property
McVol	230.340	ml/mol	McGowan Calculated Property
Inp	[2625.00; 2658.40]
Inp	2625.00		NIST
Inp	2636.00		NIST
Inp	2658.40		NIST
Tboil	673.22	K	Relay (1.0) Calculated Property
Tfus	474.14	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[427.85; 453.61]	J/mol×K	[866.80; 1141.07]
Cp,gas	427.85	J/mol×K	866.80	Joback Calculated Property
Cp,gas	433.78	J/mol×K	912.51	Joback Calculated Property
Cp,gas	439.01	J/mol×K	958.22	Joback Calculated Property
Cp,gas	443.58	J/mol×K	1003.94	Joback Calculated Property
Cp,gas	447.51	J/mol×K	1049.65	Joback Calculated Property
Cp,gas	450.84	J/mol×K	1095.36	Joback Calculated Property
Cp,gas	453.61	J/mol×K	1141.07	Joback Calculated Property
η	[0.0001130; 0.0003571]	Pa×s	[617.36; 866.80]
η	0.0003571	Pa×s	617.36	Joback Calculated Property
η	0.0002775	Pa×s	658.93	Joback Calculated Property
η	0.0002222	Pa×s	700.51	Joback Calculated Property
η	0.0001824	Pa×s	742.08	Joback Calculated Property
η	0.0001529	Pa×s	783.65	Joback Calculated Property
η	0.0001305	Pa×s	825.23	Joback Calculated Property
η	0.0001130	Pa×s	866.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 2,2',3,3',4,4',5,5'-octachloro-.

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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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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