- InChI
- InChI=1S/C5H8Cl2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3
- InChI Key
- XNTVDJIRXYIWQH-UHFFFAOYSA-N
- Formula
- C5H8Cl2O
- SMILES
- CC(Cl)C(=O)C(C)Cl
- Molecular Weight1
- 155.02
- 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° | -166.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.46 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.810 | Crippen Calculated Property | |
| McVol | 107.360 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Inp | [872.00; 872.00] |
|
|
| Inp | 872.00 | NIST | |
| Inp | 872.00 | NIST | |
| Tboil | 441.65 | K | Joback Calculated Property |
| Tc | 644.37 | K | Joback Calculated Property |
| Tfus | 225.88 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.33; 235.16] | J/mol×K | [441.65; 644.37] |
|
| Cp,gas | 189.33 | J/mol×K | 441.65 | Joback Calculated Property |
| Cp,gas | 198.04 | J/mol×K | 475.44 | Joback Calculated Property |
| Cp,gas | 206.31 | J/mol×K | 509.22 | Joback Calculated Property |
| Cp,gas | 214.14 | J/mol×K | 543.01 | Joback Calculated Property |
| Cp,gas | 221.55 | J/mol×K | 576.80 | Joback Calculated Property |
| Cp,gas | 228.55 | J/mol×K | 610.58 | Joback Calculated Property |
| Cp,gas | 235.16 | J/mol×K | 644.37 | Joback Calculated Property |
| η | [0.0003609; 0.0082291] | Pa×s | [225.88; 441.65] |
|
| η | 0.0082291 | Pa×s | 225.88 | Joback Calculated Property |
| η | 0.0034166 | Pa×s | 261.84 | Joback Calculated Property |
| η | 0.0017540 | Pa×s | 297.80 | Joback Calculated Property |
| η | 0.0010396 | Pa×s | 333.76 | Joback Calculated Property |
| η | 0.0006822 | Pa×s | 369.73 | Joback Calculated Property |
| η | 0.0004824 | Pa×s | 405.69 | Joback Calculated Property |
| η | 0.0003609 | Pa×s | 441.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, 2,4-dichloro (RS, SR).
Sources
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