Chemical Properties of Propanoic acid, 2,2-dichloro-, 1,2-ethanediyl ester

InChI

InChI=1S/C8H10Cl4O4/c1-7(9,10)5(13)15-3-4-16-6(14)8(2,11)12/h3-4H2,1-2H3

InChI Key

HDVMFCLSSJBSOM-UHFFFAOYSA-N

Formula

C8H10Cl4O4

SMILES

CC(Cl)(Cl)C(=O)OCCOC(=O)C(C)(Cl)Cl

Molecular Weight¹

311.98

Other Names

• Ethylene glycol bis(alpha,alpha-dichloropropionate)

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[258.57; 484.29]	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			4.90520e+01
Coefficient B			9.33040e-01
Coefficient C			-6.47400e-04
Coefficient D			1.49600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.57	J/mol×K	273.00	Calculated Property
Cp,gas	304.74	J/mol×K	353.78	Calculated Property
Cp,gas	344.53	J/mol×K	434.56	Calculated Property
Cp,gas	378.42	J/mol×K	515.33	Calculated Property
Cp,gas	406.88	J/mol×K	596.11	Calculated Property
Cp,gas	430.39	J/mol×K	676.89	Calculated Property
Cp,gas	449.41	J/mol×K	757.67	Calculated Property
Cp,gas	464.42	J/mol×K	838.44	Calculated Property
Cp,gas	475.89	J/mol×K	919.22	Calculated Property
Cp,gas	484.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021668; 0.0001403]	Pa×s	[389.10; 602.22]	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			-1.38691e+01
Coefficient B			3.00952e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			389.10
Temperature range, max.			602.22
η	0.0021668	Pa×s	389.10	Calculated Property
η	0.0013903	Pa×s	412.78	Calculated Property
η	0.0009361	Pa×s	436.46	Calculated Property
η	0.0006565	Pa×s	460.14	Calculated Property
η	0.0004766	Pa×s	483.82	Calculated Property
η	0.0003566	Pa×s	507.50	Calculated Property
η	0.0002737	Pa×s	531.18	Calculated Property
η	0.0002149	Pa×s	554.86	Calculated Property
η	0.0001721	Pa×s	578.54	Calculated Property
η	0.0001403	Pa×s	602.22	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2,2-dichloro-, 1,2-ethanediyl ester.

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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