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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.59; 258.80]	J/mol×K	[461.72; 666.97]
Cp,gas	212.59	J/mol×K	461.72	Joback Calculated Property
Cp,gas	221.52	J/mol×K	495.93	Joback Calculated Property
Cp,gas	229.94	J/mol×K	530.14	Joback Calculated Property
Cp,gas	237.86	J/mol×K	564.34	Joback Calculated Property
Cp,gas	245.30	J/mol×K	598.55	Joback Calculated Property
Cp,gas	252.27	J/mol×K	632.76	Joback Calculated Property
Cp,gas	258.80	J/mol×K	666.97	Joback Calculated Property
η	[0.0003350; 0.0037813]	Pa×s	[280.53; 461.72]
η	0.0037813	Pa×s	280.53	Joback Calculated Property
η	0.0020747	Pa×s	310.73	Joback Calculated Property
η	0.0012660	Pa×s	340.93	Joback Calculated Property
η	0.0008372	Pa×s	371.12	Joback Calculated Property
η	0.0005892	Pa×s	401.32	Joback Calculated Property
η	0.0004356	Pa×s	431.52	Joback Calculated Property
η	0.0003350	Pa×s	461.72	Joback 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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