- InChI
- InChI=1S/C9H7Cl3O2/c1-5(10)9(13)14-6-2-3-7(11)8(12)4-6/h2-5H,1H3
- InChI Key
- YFMJDVKPXPSLOQ-UHFFFAOYSA-N
- Formula
- C9H7Cl3O2
- SMILES
- CC(Cl)C(=O)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 253.51
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -154.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.526 | Crippen Calculated Property | |
| McVol | 158.070 | ml/mol | McGowan Calculated Property |
| Pc | 2960.12 | kPa | Joback Calculated Property |
| Inp | [1610.00; 1610.00] |
|
|
| Inp | 1610.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Tboil | 630.10 | K | Joback Calculated Property |
| Tc | 865.66 | K | Joback Calculated Property |
| Tfus | 389.57 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.21; 374.40] | J/mol×K | [630.10; 865.66] |
|
| Cp,gas | 325.21 | J/mol×K | 630.10 | Joback Calculated Property |
| Cp,gas | 335.13 | J/mol×K | 669.36 | Joback Calculated Property |
| Cp,gas | 344.34 | J/mol×K | 708.62 | Joback Calculated Property |
| Cp,gas | 352.87 | J/mol×K | 747.88 | Joback Calculated Property |
| Cp,gas | 360.71 | J/mol×K | 787.14 | Joback Calculated Property |
| Cp,gas | 367.88 | J/mol×K | 826.40 | Joback Calculated Property |
| Cp,gas | 374.40 | J/mol×K | 865.66 | Joback Calculated Property |
| η | [0.0001919; 0.0013740] | Pa×s | [389.57; 630.10] |
|
| η | 0.0013740 | Pa×s | 389.57 | Joback Calculated Property |
| η | 0.0008493 | Pa×s | 429.66 | Joback Calculated Property |
| η | 0.0005698 | Pa×s | 469.75 | Joback Calculated Property |
| η | 0.0004071 | Pa×s | 509.84 | Joback Calculated Property |
| η | 0.0003055 | Pa×s | 549.92 | Joback Calculated Property |
| η | 0.0002383 | Pa×s | 590.01 | Joback Calculated Property |
| η | 0.0001919 | Pa×s | 630.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloropropionic acid, 3,4-dichlorophenyl ester.
Sources
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