Chemical Properties of 2,2-Bis(4-chlorophenyl)acetic acid (CAS 83-05-6)

InChI

InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)

InChI Key

YIOCIFXUGBYCJR-UHFFFAOYSA-N

Formula

C14H10Cl2O2

SMILES

O=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

281.13

CAS

83-05-6

Other Names

• 2,2-Bis(p-chlorophenyl)acetic acid
• Acetic acid, bis(p-chlorophenyl)-
• Acetic acid, bis-(4-chlorophenyl)
• Benzeneacetic acid, 4-chloro-«alpha»-(4-chlorophenyl)-
• Bis(4-chlorophenyl)acetic acid
• Bis(p-chlorophenyl)acetic acid
• Bis(p-chlorphenyl)essigsaeure
• DDA
• DDA, (Degradation product)
• Di(p-chlorophenyl)acetic acid
• Dichlorodiphenylacetic acid
• NSC 4279
• p,p'-DDA
• p,p'-Dichlorodiphenylacetic acid

• 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_fusH : Enthalpy of fusion at a given temperature (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	-291.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.33	kJ/mol	Joback Calculated Property
ΔvapH°	74.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-4.68		Relay (1.0) Calculated Property
logPoct/wat	4.210		Crippen Calculated Property
McVol	192.520	ml/mol	McGowan Calculated Property
Inp	1933.00		NIST
Tboil	623.63	K	Relay (1.0) Calculated Property
Tfus	[441.15; 441.26]	K
Tfus	441.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	441.26 ± 0.20	K	NIST

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.18; 526.33]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.03500e+01
Coefficient B			1.12730e+00
Coefficient C			-7.82720e-04
Coefficient D			2.02100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.18	J/mol×K	273.00	Calculated Property
Cp,gas	289.45	J/mol×K	353.78	Calculated Property
Cp,gas	338.30	J/mol×K	434.56	Calculated Property
Cp,gas	380.38	J/mol×K	515.33	Calculated Property
Cp,gas	416.32	J/mol×K	596.11	Calculated Property
Cp,gas	446.76	J/mol×K	676.89	Calculated Property
Cp,gas	472.34	J/mol×K	757.67	Calculated Property
Cp,gas	493.71	J/mol×K	838.44	Calculated Property
Cp,gas	511.49	J/mol×K	919.22	Calculated Property
Cp,gas	526.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017741; 0.0001427]	Pa×s	[441.20; 742.05]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.25502e+01
Coefficient B			2.74240e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			441.20
Temperature range, max.			742.05
η	0.0017741	Pa×s	441.20	Calculated Property
η	0.0011452	Pa×s	474.63	Calculated Property
η	0.0007830	Pa×s	508.06	Calculated Property
η	0.0005611	Pa×s	541.49	Calculated Property
η	0.0004180	Pa×s	574.91	Calculated Property
η	0.0003216	Pa×s	608.34	Calculated Property
η	0.0002543	Pa×s	641.77	Calculated Property
η	0.0002058	Pa×s	675.19	Calculated Property
η	0.0001699	Pa×s	708.62	Calculated Property
η	0.0001427	Pa×s	742.05	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Bis(4-chlorophenyl)acetic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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