- InChI
- InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
- InChI Key
- NDUPDOJHUQKPAG-UHFFFAOYSA-N
- Formula
- C3H4Cl2O2
- SMILES
- CC(Cl)(Cl)C(=O)O
- Molecular Weight1
- 142.97
- CAS
- 75-99-0
- Other Names
-
- 2,2-DPA
- 2,2-Dichloropropanoic acid
- 2,2-Dichloropropionic acid
- Alatex
- BH Dalapon
- Basfapon B
- Basfapon N
- Basfapon/N
- Basinex P
- Crisapon
- D-Granulat
- DPA
- Dalapon
- Dalapon 85
- Dalapon-acid
- Dalascam
- Davpon
- Dawpon-RAE
- Dowpon M
- Dowpon proprop
- Kenapon
- Kyselina 2,2-dichlorpropionova
- Liropon
- NSC 56352
- Propionic acid, 2,2-dichloro-
- Proprop
- Revenge
- S 1315
- S 95 (herbicide)
- S95
- Sys-Omnidel
- Tripon
- Unipon
- Uropon
- «alpha»,«alpha»-Dichloropropionic acid
- «alpha»-Dichloropropionic acid
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -493.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| IE | 11.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.265 | Crippen Calculated Property | |
| McVol | 85.050 | ml/mol | McGowan Calculated Property |
| Tboil | 460.70 | K | NIST |
| Tfus | 268.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [364.20; 372.00] | K | [1.90; 2.40] |
|
| Tboilr | 364.20 | K | 1.90 | NIST |
| Tboilr | 372.00 ± 1.00 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.09; 202.89] | 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 | 6.07000e+00 | |||
| Coefficient B | 4.79020e-01 | |||
| Coefficient C | -4.24600e-04 | |||
| Coefficient D | 1.42400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 128.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 145.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 159.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 170.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 179.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 187.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 193.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 198.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 202.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0100135; 0.0003598] | Pa×s | [268.15; 495.25] |
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 | -1.18574e+01 | |||
| Coefficient B | 1.94504e+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. | 268.15 | |||
| Temperature range, max. | 495.25 | |||
| η | 0.0100135 | Pa×s | 268.15 | Calculated Property |
| η | 0.0053660 | Pa×s | 293.38 | Calculated Property |
| η | 0.0031741 | Pa×s | 318.62 | Calculated Property |
| η | 0.0020280 | Pa×s | 343.85 | Calculated Property |
| η | 0.0013776 | Pa×s | 369.08 | Calculated Property |
| η | 0.0009832 | Pa×s | 394.32 | Calculated Property |
| η | 0.0007308 | Pa×s | 419.55 | Calculated Property |
| η | 0.0005618 | Pa×s | 444.78 | Calculated Property |
| η | 0.0004442 | Pa×s | 470.02 | Calculated Property |
| η | 0.0003598 | Pa×s | 495.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dichloro-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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