- InChI
- InChI=1S/C5H9ClO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
- InChI Key
- DDTJFSPKEIAZAM-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- CC(C)C(Cl)C(=O)O
- Molecular Weight1
- 136.58
- CAS
- 921-08-4
- 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).
- 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 | 0.5883 | Relay (1.0) Calculated Property | |
| ΔfG° | -291.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.334 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Pc | 4088.15 | kPa | Joback Calculated Property |
| Tboil | 445.23 | K | Relay (1.0) Calculated Property |
| Tc | 662.31 | K | Relay (1.0) Calculated Property |
| Tfus | 319.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.76; 248.69] | J/mol×K | [496.40; 682.37] | 
|
| Cp,gas | 206.76 | J/mol×K | 496.40 | Joback Calculated Property |
| Cp,gas | 214.66 | J/mol×K | 527.39 | Joback Calculated Property |
| Cp,gas | 222.18 | J/mol×K | 558.39 | Joback Calculated Property |
| Cp,gas | 229.33 | J/mol×K | 589.38 | Joback Calculated Property |
| Cp,gas | 236.13 | J/mol×K | 620.38 | Joback Calculated Property |
| Cp,gas | 242.57 | J/mol×K | 651.37 | Joback Calculated Property |
| Cp,gas | 248.69 | J/mol×K | 682.37 | Joback Calculated Property |
| η | [0.0001957; 0.0544542] | Pa×s | [256.78; 496.40] |
|
| η | 0.0544542 | Pa×s | 256.78 | Joback Calculated Property |
| η | 0.0113364 | Pa×s | 296.72 | Joback Calculated Property |
| η | 0.0034247 | Pa×s | 336.65 | Joback Calculated Property |
| η | 0.0013336 | Pa×s | 376.59 | Joback Calculated Property |
| η | 0.0006223 | Pa×s | 416.53 | Joback Calculated Property |
| η | 0.0003318 | Pa×s | 456.46 | Joback Calculated Property |
| η | 0.0001957 | Pa×s | 496.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloroisovaleric acid.
Sources
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