Chemical Properties of 2,2-Bis(p-chlorophenyl)ethanol (CAS 2642-82-2)

InChI

InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2

InChI Key

ZVIDYKRNLNAXFT-UHFFFAOYSA-N

Formula

C14H12Cl2O

SMILES

OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

267.15

CAS

2642-82-2

Other Names

• 2,2-Bis(4-chlorophenyl)-1-hydroxyethane
• 2,2-Bis(4-chlorophenyl)ethanol
• Benzeneethanol, 4-chloro-«beta»-(4-chlorophenyl)-
• DDOH
• DDOM
• Ethanol, 2,2-bis(p-chlorophenyl)-
• Ethanol, 2,2-bis-(4-chlorophenyl)
• NSC 8942
• p,p'-DDOH

• 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	-89.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.28	kJ/mol	Joback Calculated Property
ΔvapH°	99.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	4.118		Crippen Calculated Property
McVol	190.950	ml/mol	McGowan Calculated Property
Inp	[2186.00; 2186.00]
Inp	2186.00		NIST
Inp	2186.00		NIST
Tboil	634.75	K	Relay (1.0) Calculated Property
Tfus	370.44	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.06; 534.22]	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			-1.96590e+01
Coefficient B			1.11050e+00
Coefficient C			-7.40520e-04
Coefficient D			1.83900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.06	J/mol×K	273.00	Calculated Property
Cp,gas	288.67	J/mol×K	353.78	Calculated Property
Cp,gas	338.17	J/mol×K	434.56	Calculated Property
Cp,gas	381.13	J/mol×K	515.33	Calculated Property
Cp,gas	418.13	J/mol×K	596.11	Calculated Property
Cp,gas	449.77	J/mol×K	676.89	Calculated Property
Cp,gas	476.61	J/mol×K	757.67	Calculated Property
Cp,gas	499.25	J/mol×K	838.44	Calculated Property
Cp,gas	518.26	J/mol×K	919.22	Calculated Property
Cp,gas	534.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012160; 0.0000501]	Pa×s	[431.08; 686.82]	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			-1.52792e+01
Coefficient B			3.69305e+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.			431.08
Temperature range, max.			686.82
η	0.0012160	Pa×s	431.08	Calculated Property
η	0.0007159	Pa×s	459.50	Calculated Property
η	0.0004483	Pa×s	487.91	Calculated Property
η	0.0002956	Pa×s	516.33	Calculated Property
η	0.0002035	Pa×s	544.74	Calculated Property
η	0.0001454	Pa×s	573.16	Calculated Property
η	0.0001073	Pa×s	601.57	Calculated Property
η	0.0000813	Pa×s	629.99	Calculated Property
η	0.0000631	Pa×s	658.41	Calculated Property
η	0.0000501	Pa×s	686.82	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Bis(p-chlorophenyl)ethanol.

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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