Chemical Properties of Propionic acid, 2,3-dichloro-2-methyl-, methyl ester (CAS 918-78-5)

InChI

InChI=1S/C5H8Cl2O2/c1-5(7,3-6)4(8)9-2/h3H2,1-2H3

InChI Key

UMKUDPXEXDNELA-UHFFFAOYSA-N

Formula

C5H8Cl2O2

SMILES

COC(=O)C(C)(Cl)CCl

Molecular Weight¹

171.02

CAS

918-78-5

• 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).
• 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, 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	[153.24; 303.40]	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			2.50610e+01
Coefficient B			5.63440e-01
Coefficient C			-3.66200e-04
Coefficient D			8.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.24	J/mol×K	273.00	Calculated Property
Cp,gas	182.15	J/mol×K	353.78	Calculated Property
Cp,gas	207.41	J/mol×K	434.56	Calculated Property
Cp,gas	229.27	J/mol×K	515.33	Calculated Property
Cp,gas	247.98	J/mol×K	596.11	Calculated Property
Cp,gas	263.81	J/mol×K	676.89	Calculated Property
Cp,gas	277.01	J/mol×K	757.67	Calculated Property
Cp,gas	287.84	J/mol×K	838.44	Calculated Property
Cp,gas	296.55	J/mol×K	919.22	Calculated Property
Cp,gas	303.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0068245; 0.0003027]	Pa×s	[250.70; 451.92]	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			-1.19842e+01
Coefficient B			1.75414e+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.			250.70
Temperature range, max.			451.92
η	0.0068245	Pa×s	250.70	Calculated Property
η	0.0038482	Pa×s	273.06	Calculated Property
η	0.0023665	Pa×s	295.42	Calculated Property
η	0.0015584	Pa×s	317.77	Calculated Property
η	0.0010841	Pa×s	340.13	Calculated Property
η	0.0007887	Pa×s	362.49	Calculated Property
η	0.0005954	Pa×s	384.85	Calculated Property
η	0.0004636	Pa×s	407.21	Calculated Property
η	0.0003705	Pa×s	429.57	Calculated Property
η	0.0003027	Pa×s	451.92	Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 2,3-dichloro-2-methyl-, methyl 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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