- 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.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3305 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -456.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.787 | Crippen Calculated Property | |
| McVol | 86.900 | ml/mol | McGowan Calculated Property |
| Pc | 3980.54 | kPa | Joback Calculated Property |
| Tboil | 398.11 | K | Relay (1.0) Calculated Property |
| Tc | 583.82 | K | Relay (1.0) Calculated Property |
| Tfus | 222.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.327 | m3/kmol | Relay (1.0) Calculated Property |
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.16; 190.17] | J/mol×K | [404.20; 596.19] | 
|
| Cp,gas | 151.16 | J/mol×K | 404.20 | Joback Calculated Property |
| Cp,gas | 158.25 | J/mol×K | 436.20 | Joback Calculated Property |
| Cp,gas | 165.11 | J/mol×K | 468.20 | Joback Calculated Property |
| Cp,gas | 171.74 | J/mol×K | 500.19 | Joback Calculated Property |
| Cp,gas | 178.13 | J/mol×K | 532.19 | Joback Calculated Property |
| Cp,gas | 184.27 | J/mol×K | 564.19 | Joback Calculated Property |
| Cp,gas | 190.17 | J/mol×K | 596.19 | Joback Calculated Property |
| η | [0.0003140; 0.0041012] | Pa×s | [221.92; 404.20] |
|
| η | 0.0041012 | Pa×s | 221.92 | Joback Calculated Property |
| η | 0.0020651 | Pa×s | 252.30 | Joback Calculated Property |
| η | 0.0012051 | Pa×s | 282.68 | Joback Calculated Property |
| η | 0.0007807 | Pa×s | 313.06 | Joback Calculated Property |
| η | 0.0005462 | Pa×s | 343.44 | Joback Calculated Property |
| η | 0.0004049 | Pa×s | 373.82 | Joback Calculated Property |
| η | 0.0003140 | Pa×s | 404.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-chloro-, methyl ester, (s)-.
Sources
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