- InChI
- InChI=1S/C5H7Cl3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10)
- InChI Key
- RDRNKIGGASXJAX-UHFFFAOYSA-N
- Formula
- C5H7Cl3O2
- SMILES
- O=C(O)C(CCl)(CCl)CCl
- Molecular Weight1
- 205.47
- CAS
- 17831-70-8
- Other Names
-
- 3-Chloro-2,2-bis(chloromethyl)propionic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6506 | Relay (1.0) Calculated Property | |
| ΔfG° | -307.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.774 | Crippen Calculated Property | |
| McVol | 125.470 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Tboil | 538.12 | K | Relay (1.0) Calculated Property |
| Tc | 783.41 | K | Relay (1.0) Calculated Property |
| Tfus | 424.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.89; 286.08] | J/mol×K | [568.91; 767.86] | 
|
| Cp,gas | 251.89 | J/mol×K | 568.91 | Joback Calculated Property |
| Cp,gas | 258.72 | J/mol×K | 602.07 | Joback Calculated Property |
| Cp,gas | 265.05 | J/mol×K | 635.23 | Joback Calculated Property |
| Cp,gas | 270.93 | J/mol×K | 668.38 | Joback Calculated Property |
| Cp,gas | 276.37 | J/mol×K | 701.54 | Joback Calculated Property |
| Cp,gas | 281.41 | J/mol×K | 734.70 | Joback Calculated Property |
| Cp,gas | 286.08 | J/mol×K | 767.86 | Joback Calculated Property |
| η | [0.0001418; 0.0068476] | Pa×s | [349.04; 568.91] |
|
| η | 0.0068476 | Pa×s | 349.04 | Joback Calculated Property |
| η | 0.0026399 | Pa×s | 385.69 | Joback Calculated Property |
| η | 0.0012008 | Pa×s | 422.33 | Joback Calculated Property |
| η | 0.0006194 | Pa×s | 458.98 | Joback Calculated Property |
| η | 0.0003524 | Pa×s | 495.62 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 532.27 | Joback Calculated Property |
| η | 0.0001418 | Pa×s | 568.91 | Joback Calculated Property |
| ΔfusH | 20.90 | kJ/mol | 383.90 | NIST |
Similar Compounds
Find more compounds similar to 3-Chloro-2,2-bis(chloromethyl)propanoic acid.
Sources
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