Chemical Properties of 1,1'-Biphenyl, 2,2',4,4',5-pentachloro- (CAS 38380-01-7)

InChI

InChI=1S/C12H5Cl5/c13-6-1-2-7(9(14)3-6)8-4-11(16)12(17)5-10(8)15/h1-5H

InChI Key

LMQJBFRGXHMNOX-UHFFFAOYSA-N

Formula

C12H5Cl5

SMILES

Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1

Molecular Weight¹

326.43

CAS

38380-01-7

Other Names

• 2,2',4,4'5-Pentachlorobiphenyl
• 2,2',4,4',5-Pentachloro-1,1'-biphenyl
• PCB 99

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	56.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.96	kJ/mol	Joback Calculated Property
ΔvapH°	97.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-7.57		Relay (1.0) Calculated Property
logPoct/wat	6.621		Crippen Calculated Property
McVol	193.620	ml/mol	McGowan Calculated Property
Inp	[2150.00; 2151.00]
Inp	2150.00		NIST
Inp	2150.00		NIST
Inp	2150.00		NIST
Inp	2150.00		NIST
Inp	2151.00		NIST
Tboil	620.11	K	Relay (1.0) Calculated Property
Tfus	359.71	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	[385.55; 428.49]	J/mol×K	[739.57; 1008.49]
Cp,gas	385.55	J/mol×K	739.57	Joback Calculated Property
Cp,gas	394.68	J/mol×K	784.39	Joback Calculated Property
Cp,gas	402.95	J/mol×K	829.21	Joback Calculated Property
Cp,gas	410.41	J/mol×K	874.03	Joback Calculated Property
Cp,gas	417.12	J/mol×K	918.85	Joback Calculated Property
Cp,gas	423.13	J/mol×K	963.67	Joback Calculated Property
Cp,gas	428.49	J/mol×K	1008.49	Joback Calculated Property
η	[0.0001569; 0.0006694]	Pa×s	[490.04; 739.57]
η	0.0006694	Pa×s	490.04	Joback Calculated Property
η	0.0004782	Pa×s	531.63	Joback Calculated Property
η	0.0003587	Pa×s	573.22	Joback Calculated Property
η	0.0002797	Pa×s	614.80	Joback Calculated Property
η	0.0002251	Pa×s	656.39	Joback Calculated Property
η	0.0001859	Pa×s	697.98	Joback Calculated Property
η	0.0001569	Pa×s	739.57	Joback Calculated Property
ΔvapH	86.80	kJ/mol	368.00	NIST

Similar Compounds

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

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

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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