Chemical Properties of Ethanol, 2,2-dichloro-

InChI

InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2

InChI Key

IDJOCJAIQSKSOP-UHFFFAOYSA-N

Formula

C2H4Cl2O

SMILES

OCC(Cl)Cl

Molecular Weight¹

114.96

Other Names

• 2,2-dichloroethanol
• Dichloroethanol

• 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_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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-197.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-301.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.89	kJ/mol	Joback Calculated Property
ΔvapH°	56.30	kJ/mol	Relay (1.0) Calculated Property
IE	11.40	eV	Relay (1.0) Calculated Property
log10WS	0.73		Relay (1.0) Calculated Property
logPoct/wat	0.782		Crippen Calculated Property
McVol	69.390	ml/mol	McGowan Calculated Property
Pc	5220.69	kPa	Joback Calculated Property
Inp	[672.00; 742.00]
Inp	733.00		NIST
Inp	738.00		NIST
Inp	694.00		NIST
Inp	678.00		NIST
Inp	672.00		NIST
Inp	683.00		NIST
Inp	690.00		NIST
Inp	742.00		NIST
Inp	694.00		NIST
Ip	[1594.00; 1633.00]
Ip	1604.00		NIST
Ip	1633.00		NIST
Ip	1610.00		NIST
Ip	1594.00		NIST
Ip	1601.00		NIST
Ip	1609.00		NIST
Ip	1616.00		NIST
Ip	1623.00		NIST
Tboil	419.20	K	NIST
Tc	666.59	K	Relay (1.0) Calculated Property
Tfus	233.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[86.91; 158.26]	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			3.04610e+01
Coefficient B			2.47300e-01
Coefficient C			-1.59400e-04
Coefficient D			3.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	86.91	J/mol×K	273.00	Calculated Property
Cp,gas	99.77	J/mol×K	353.78	Calculated Property
Cp,gas	111.10	J/mol×K	434.56	Calculated Property
Cp,gas	121.03	J/mol×K	515.33	Calculated Property
Cp,gas	129.69	J/mol×K	596.11	Calculated Property
Cp,gas	137.20	J/mol×K	676.89	Calculated Property
Cp,gas	143.68	J/mol×K	757.67	Calculated Property
Cp,gas	149.27	J/mol×K	838.44	Calculated Property
Cp,gas	154.09	J/mol×K	919.22	Calculated Property
Cp,gas	158.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1074113; 0.0003668]	Pa×s	[217.96; 416.22]	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			-1.41544e+01
Coefficient B			2.59881e+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.			217.96
Temperature range, max.			416.22
η	0.1074113	Pa×s	217.96	Calculated Property
η	0.0359524	Pa×s	239.99	Calculated Property
η	0.0144654	Pa×s	262.02	Calculated Property
η	0.0067029	Pa×s	284.05	Calculated Property
η	0.0034696	Pa×s	306.08	Calculated Property
η	0.0019620	Pa×s	328.11	Calculated Property
η	0.0011920	Pa×s	350.13	Calculated Property
η	0.0007682	Pa×s	372.16	Calculated Property
η	0.0005200	Pa×s	394.19	Calculated Property
η	0.0003668	Pa×s	416.22	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2,2-dichloro-.

Mixtures

• Ethanol, 2,2-dichloro- + Water
• Ethanol, 2,2-dichloro- + 1-Octanol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Henry s Law Constants of Organic Compounds in Water and n-Octane at T = 293.2 K
• Joback Method
• McGowan Method
• NIST Webbook

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