Chemical Properties of 1,1'-Biphenyl, 2,3,3'-trichloro- (CAS 38444-84-7)

InChI

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

InChI Key

SXHLTVKPNQVZGL-UHFFFAOYSA-N

Formula

C12H7Cl3

SMILES

Clc1cccc(-c2cccc(Cl)c2Cl)c1

Molecular Weight¹

257.54

CAS

38444-84-7

Other Names

• 2,3,3'-Trichlorobiphenyl
• PCB 20

• 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	110.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.34	kJ/mol	Joback Calculated Property
ΔvapH°	84.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-6.29		Relay (1.0) Calculated Property
logPoct/wat	5.314		Crippen Calculated Property
McVol	169.140	ml/mol	McGowan Calculated Property
Inp	[1837.00; 1921.00]
Inp	1921.00		NIST
Inp	1876.00		NIST
Inp	1837.00		NIST
Inp	1840.00		NIST
Inp	1920.00		NIST
Inp	1920.00		NIST
Inp	1920.00		NIST
Inp	1880.00		NIST
Inp	1837.00		NIST
Inp	1877.00		NIST
Inp	1919.00		NIST
Inp	1921.00		NIST
Inp	1877.00		NIST
Inp	1920.00		NIST
Tboil	605.54	K	Relay (1.0) Calculated Property
Tfus	308.97	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	[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, 2,3,3'-trichloro-.

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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