- InChI
- InChI=1S/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)
- InChI Key
- YBJGQSNSAWZZHL-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- CC(C)(CCl)C(=O)O
- Molecular Weight1
- 136.58
- Other Names
-
- Propionic acid, 3-chloro-2,2-dimethyl-
- «beta»-Chloro-«alpha»,«alpha»-dimethylpropionic acid
- «beta»-Chloropivalic acid
- Chloropivalic acid
- Chlorotrimethylacetic acid
- 3-Chloro-2,2-dimethylpropionic acid
- 3-Chloropivalic acid
- NSC 89696
- 3-chloro-2,2-dimethylpropaneoic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 15.63 | kJ/mol | Joback Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.336 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Tboil | 488.20 | K | NIST |
| Tfus | 314.00 ± 4.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 | [212.19; 258.08] | J/mol×K | [493.71; 703.47] | 
|
| Cp,gas | 212.19 | J/mol×K | 493.71 | Joback Calculated Property |
| Cp,gas | 221.32 | J/mol×K | 528.67 | Joback Calculated Property |
| Cp,gas | 229.80 | J/mol×K | 563.63 | Joback Calculated Property |
| Cp,gas | 237.67 | J/mol×K | 598.59 | Joback Calculated Property |
| Cp,gas | 244.99 | J/mol×K | 633.55 | Joback Calculated Property |
| Cp,gas | 251.78 | J/mol×K | 668.51 | Joback Calculated Property |
| Cp,gas | 258.08 | J/mol×K | 703.47 | Joback Calculated Property |
| η | [0.0003246; 0.0019888] | Pa×s | [339.05; 493.71] |
|
| η | 0.0019888 | Pa×s | 339.05 | Joback Calculated Property |
| η | 0.0013214 | Pa×s | 364.83 | Joback Calculated Property |
| η | 0.0009266 | Pa×s | 390.60 | Joback Calculated Property |
| η | 0.0006789 | Pa×s | 416.38 | Joback Calculated Property |
| η | 0.0005159 | Pa×s | 442.16 | Joback Calculated Property |
| η | 0.0004040 | Pa×s | 467.93 | Joback Calculated Property |
| η | 0.0003246 | Pa×s | 493.71 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro-2,2-dimethyl-.
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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