- InChI
- InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
- InChI Key
- GAWAYYRQGQZKCR-UWTATZPHSA-N
- Formula
- C3H5ClO2
- SMILES
- CC(Cl)C(=O)O
- Molecular Weight1
- 108.52
- CAS
- 29617-66-1
- Other Names
-
- Propanoic acid, 2-chloro-, (2S)-
- (S) 2-chloropropionic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | 0.5723 | Relay (1.0) Calculated Property | |
| ΔfG° | -383.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.90 ± 0.50 | kJ/mol | NIST |
| IE | 10.87 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.698 | Crippen Calculated Property | |
| McVol | 72.810 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Tboil | 447.48 | K | Relay (1.0) Calculated Property |
| Tc | 654.44 | K | Relay (1.0) Calculated Property |
| Tfus | 279.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.267 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.49; 163.12] | J/mol×K | [450.74; 657.56] | 
|
| Cp,gas | 132.49 | J/mol×K | 450.74 | Joback Calculated Property |
| Cp,gas | 138.42 | J/mol×K | 485.21 | Joback Calculated Property |
| Cp,gas | 144.00 | J/mol×K | 519.68 | Joback Calculated Property |
| Cp,gas | 149.24 | J/mol×K | 554.15 | Joback Calculated Property |
| Cp,gas | 154.16 | J/mol×K | 588.62 | Joback Calculated Property |
| Cp,gas | 158.78 | J/mol×K | 623.09 | Joback Calculated Property |
| Cp,gas | 163.12 | J/mol×K | 657.56 | Joback Calculated Property |
| η | [0.0003514; 0.0020572] | Pa×s | [299.09; 450.74] |
|
| η | 0.0020572 | Pa×s | 299.09 | Joback Calculated Property |
| η | 0.0013662 | Pa×s | 324.37 | Joback Calculated Property |
| η | 0.0009626 | Pa×s | 349.64 | Joback Calculated Property |
| η | 0.0007111 | Pa×s | 374.91 | Joback Calculated Property |
| η | 0.0005457 | Pa×s | 400.19 | Joback Calculated Property |
| η | 0.0004322 | Pa×s | 425.47 | Joback Calculated Property |
| η | 0.0003514 | Pa×s | 450.74 | Joback Calculated Property |
| ΔvapH | 63.40 | kJ/mol | 307.50 | NIST |
Similar Compounds
Find more compounds similar to (S)-(-)-2-Chloropropionic acid.
Sources
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