Chemical Properties of 2,2-Dichloroethanol, acetate (CAS 53942-53-3)

InChI

InChI=1S/C4H6Cl2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3

InChI Key

DBEYJHSHTGBZIM-UHFFFAOYSA-N

Formula

C4H6Cl2O2

SMILES

CC(=O)OCC(Cl)Cl

Molecular Weight¹

157.00

CAS

53942-53-3

Other Names

• Ethanol, 2,2-dichloro-, 1-acetate
• Acetic acid 2,2-dichloroethyl ester
• Ethanol, 2,2-dichloro-, acetate
• 2,2-Dichloroethyl acetate

• ω : Acentric Factor.
• 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 : 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
ω	0.3944		Relay (1.0) Calculated Property
ΔfG°	-353.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-480.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.36	kJ/mol	Joback Calculated Property
ΔvapH°	53.24	kJ/mol	Relay (1.0) Calculated Property
IE	10.61	eV	Relay (1.0) Calculated Property
log10WS	-1.14		Relay (1.0) Calculated Property
logPoct/wat	1.353		Crippen Calculated Property
McVol	99.140	ml/mol	McGowan Calculated Property
Pc	3615.89	kPa	Joback Calculated Property
Inp	[892.00; 924.80]
Inp	892.00		NIST
Inp	911.00		NIST
Inp	919.00		NIST
Inp	899.00		NIST
Inp	924.80		NIST
I	[1426.00; 1480.00]
I	1426.00		NIST
I	1465.00		NIST
I	1451.00		NIST
I	1480.00		NIST
I	1447.00		NIST
I	1447.00		NIST
Tboil	439.14	K	Relay (1.0) Calculated Property
Tc	631.29	K	Relay (1.0) Calculated Property
Tfus	236.80	K	Relay (1.0) Calculated Property
Vc	0.359	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.49; 208.91]	J/mol×K	[423.76; 619.25]
Cp,gas	170.49	J/mol×K	423.76	Joback Calculated Property
Cp,gas	177.68	J/mol×K	456.34	Joback Calculated Property
Cp,gas	184.56	J/mol×K	488.92	Joback Calculated Property
Cp,gas	191.12	J/mol×K	521.51	Joback Calculated Property
Cp,gas	197.36	J/mol×K	554.09	Joback Calculated Property
Cp,gas	203.29	J/mol×K	586.67	Joback Calculated Property
Cp,gas	208.91	J/mol×K	619.25	Joback Calculated Property
η	[0.0003249; 0.0073958]	Pa×s	[222.01; 423.76]
η	0.0073958	Pa×s	222.01	Joback Calculated Property
η	0.0031190	Pa×s	255.63	Joback Calculated Property
η	0.0016078	Pa×s	289.26	Joback Calculated Property
η	0.0009514	Pa×s	322.88	Joback Calculated Property
η	0.0006216	Pa×s	356.51	Joback Calculated Property
η	0.0004370	Pa×s	390.13	Joback Calculated Property
η	0.0003249	Pa×s	423.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dichloroethanol, acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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