Chemical Properties of Propanoic acid, 2-chloro-, methyl ester, (s)-

InChI

InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m0/s1

InChI Key

JLEJCNOTNLZCHQ-GSVOUGTGSA-N

Formula

C4H7ClO2

SMILES

COC(=O)[C@H](C)Cl

Molecular Weight¹

122.55

Other Names

• Methyl (S)-(-)-2-chloropropionate

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[119.76; 242.61]	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			3.58700e+01
Coefficient B			3.41740e-01
Coefficient C			-1.22800e-04
Coefficient D			-1.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.76	J/mol×K	273.00	Calculated Property
Cp,gas	140.86	J/mol×K	353.78	Calculated Property
Cp,gas	160.18	J/mol×K	434.56	Calculated Property
Cp,gas	177.70	J/mol×K	515.33	Calculated Property
Cp,gas	193.36	J/mol×K	596.11	Calculated Property
Cp,gas	207.14	J/mol×K	676.89	Calculated Property
Cp,gas	218.99	J/mol×K	757.67	Calculated Property
Cp,gas	228.88	J/mol×K	838.44	Calculated Property
Cp,gas	236.77	J/mol×K	919.22	Calculated Property
Cp,gas	242.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088264; 0.0002680]	Pa×s	[192.09; 401.87]	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			-1.14245e+01
Coefficient B			1.28594e+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.			192.09
Temperature range, max.			401.87
η	0.0088264	Pa×s	192.09	Calculated Property
η	0.0042774	Pa×s	215.40	Calculated Property
η	0.0023878	Pa×s	238.71	Calculated Property
η	0.0014787	Pa×s	262.02	Calculated Property
η	0.0009903	Pa×s	285.32	Calculated Property
η	0.0007046	Pa×s	308.63	Calculated Property
η	0.0005259	Pa×s	331.94	Calculated Property
η	0.0004078	Pa×s	355.25	Calculated Property
η	0.0003264	Pa×s	378.56	Calculated Property
η	0.0002680	Pa×s	401.87	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-chloro-, methyl ester, (s)-.

Sources

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

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