Chemical Properties of 1,1'-Biphenyl, 2,3,4-trichloro- (CAS 55702-46-0)

InChI

InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H

InChI Key

IUYHQGMDSZOPDZ-UHFFFAOYSA-N

Formula

C12H7Cl3

SMILES

Clc1ccc(-c2ccccc2)c(Cl)c1Cl

Molecular Weight¹

257.54

CAS

55702-46-0

Other Names

• 2,3,4-Trichloro-1,1'-biphenyl
• 2,3,4-Trichlorobiphenyl
• PCB 21

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4444		Relay (1.0) Calculated Property
ΔfH°gas	125.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.34	kJ/mol	Joback Calculated Property
ΔvapH°	84.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-6.25		Relay (1.0) Calculated Property
logPoct/wat	5.314		Crippen Calculated Property
McVol	169.140	ml/mol	McGowan Calculated Property
Pc	2878.12	kPa	Joback Calculated Property
Inp	[1877.00; 1918.00]
Inp	1918.00		NIST
Inp	1877.00		NIST
Tboil	613.49	K	Relay (1.0) Calculated Property
Tc	870.91	K	Relay (1.0) Calculated Property
Tfus	327.48	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.25; 405.40]	J/mol×K	[654.75; 918.23]
Cp,gas	349.25	J/mol×K	654.75	Joback Calculated Property
Cp,gas	360.98	J/mol×K	698.66	Joback Calculated Property
Cp,gas	371.66	J/mol×K	742.58	Joback Calculated Property
Cp,gas	381.38	J/mol×K	786.49	Joback Calculated Property
Cp,gas	390.19	J/mol×K	830.40	Joback Calculated Property
Cp,gas	398.18	J/mol×K	874.32	Joback Calculated Property
Cp,gas	405.40	J/mol×K	918.23	Joback Calculated Property
η	[0.0001851; 0.0010725]	Pa×s	[405.16; 654.75]
η	0.0010725	Pa×s	405.16	Joback Calculated Property
η	0.0006982	Pa×s	446.76	Joback Calculated Property
η	0.0004891	Pa×s	488.36	Joback Calculated Property
η	0.0003623	Pa×s	529.96	Joback Calculated Property
η	0.0002803	Pa×s	571.55	Joback Calculated Property
η	0.0002246	Pa×s	613.15	Joback Calculated Property
η	0.0001851	Pa×s	654.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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