Chemical Properties of 1,1'-Biphenyl, 2,4,4'-trichloro- (CAS 7012-37-5)

InChI

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

InChI Key

BZTYNSQSZHARAZ-UHFFFAOYSA-N

Formula

C12H7Cl3

SMILES

Clc1ccc(-c2ccc(Cl)cc2Cl)cc1

Molecular Weight¹

257.54

CAS

7012-37-5

Other Names

• 2',4,4'-trichlorobiphenyl
• 2,4,4'-Trichloro-1,1'-biphenyl
• 2,4,4'-Trichlorobiphenyl
• 2,4-dichloro-1-(4-chlorophenyl)benzene
• 4,2',4'-trichloro-1,1'-biphenyl
• Biphenyl, 2,4,4'-trichloro-
• PCB 28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	210.30	kJ/mol	Joback Calculated Property
ΔfH°gas	100.42	kJ/mol	Joback Calculated Property
ΔfusH°	26.34	kJ/mol	Joback Calculated Property
ΔvapH°	62.00	kJ/mol	Joback Calculated Property
log10WS	-6.21		Aq. Sol...
logPoct/wat	5.314		Crippen Calculated Property
McVol	169.140	ml/mol	McGowan Calculated Property
Pc	2878.12	kPa	Joback Calculated Property
Inp	[1818.00; 1881.00]
Inp	1857.00		NIST
Inp	1841.80		NIST
Inp	1851.80		NIST
Inp	1861.00		NIST
Inp	1861.10		NIST
Inp	1840.10		NIST
Inp	1831.00		NIST
Inp	1881.00		NIST
Inp	1819.00		NIST
Inp	1875.00		NIST
Inp	1877.00		NIST
Inp	1818.00		NIST
Inp	1840.10		NIST
Tboil	654.55	K	Joback Calculated Property
Tc	917.95	K	Joback Calculated Property
Tfus	405.16	K	Joback Calculated Property
Vc	0.638	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.20; 405.36]	J/mol×K	[654.55; 917.95]
Cp,gas	349.20	J/mol×K	654.55	Joback Calculated Property
Cp,gas	360.92	J/mol×K	698.45	Joback Calculated Property
Cp,gas	371.61	J/mol×K	742.35	Joback Calculated Property
Cp,gas	381.33	J/mol×K	786.25	Joback Calculated Property
Cp,gas	390.14	J/mol×K	830.15	Joback Calculated Property
Cp,gas	398.13	J/mol×K	874.05	Joback Calculated Property
Cp,gas	405.36	J/mol×K	917.95	Joback Calculated Property
η	[0.0001852; 0.0010725]	Pa×s	[405.16; 654.55]
η	0.0010725	Pa×s	405.16	Joback Calculated Property
η	0.0006985	Pa×s	446.73	Joback Calculated Property
η	0.0004893	Pa×s	488.29	Joback Calculated Property
η	0.0003625	Pa×s	529.86	Joback Calculated Property
η	0.0002805	Pa×s	571.42	Joback Calculated Property
η	0.0002248	Pa×s	612.99	Joback Calculated Property
η	0.0001852	Pa×s	654.55	Joback Calculated Property
ΔsubH	96.70 ± 3.40	kJ/mol	320.50	NIST

Similar Compounds

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

Mixtures

• 1,1'-Biphenyl, 2,4,4'-trichloro- + Water

Sources

• Crippen Method
• Henry's Law Constants for Eleven Polychlorinated Biphenyls at 20 C
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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