- 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
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3547 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) 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 | 434.44 | K | Relay (1.0) Calculated Property |
| Tc | 633.22 | K | Relay (1.0) Calculated Property |
| Tfus | 304.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.38; 235.21] | J/mol×K | [441.85; 644.66] |
|
| Cp,gas | 189.38 | J/mol×K | 441.85 | Joback Calculated Property |
| Cp,gas | 198.10 | J/mol×K | 475.65 | Joback Calculated Property |
| Cp,gas | 206.37 | J/mol×K | 509.45 | Joback Calculated Property |
| Cp,gas | 214.20 | J/mol×K | 543.26 | Joback Calculated Property |
| Cp,gas | 221.61 | J/mol×K | 577.06 | Joback Calculated Property |
| Cp,gas | 228.61 | J/mol×K | 610.86 | Joback Calculated Property |
| Cp,gas | 235.21 | J/mol×K | 644.66 | Joback Calculated Property |
| η | [0.0003603; 0.0082291] | Pa×s | [225.88; 441.85] |
|
| η | 0.0082291 | Pa×s | 225.88 | Joback Calculated Property |
| η | 0.0034142 | Pa×s | 261.88 | Joback Calculated Property |
| η | 0.0017521 | Pa×s | 297.87 | Joback Calculated Property |
| η | 0.0010383 | Pa×s | 333.87 | Joback Calculated Property |
| η | 0.0006812 | Pa×s | 369.86 | Joback Calculated Property |
| η | 0.0004817 | Pa×s | 405.86 | Joback Calculated Property |
| η | 0.0003603 | Pa×s | 441.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, 2,4-dichloro (RS, SR).
Sources
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