- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.66; 283.92] | 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 | 2.81200e+01 | |||
| Coefficient B | 4.76240e-01 | |||
| Coefficient C | -2.76700e-04 | |||
| Coefficient D | 5.62600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 187.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 207.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 225.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 241.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 254.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 266.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 275.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 283.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0082291; 0.0003366] | Pa×s | [225.88; 451.26] |
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 | -1.12004e+01 | |||
| Coefficient B | 1.44571e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 225.88 | |||
| Temperature range, max. | 451.26 | |||
| η | 0.0082291 | Pa×s | 225.88 | Calculated Property |
| η | 0.0043445 | Pa×s | 250.92 | Calculated Property |
| η | 0.0025756 | Pa×s | 275.96 | Calculated Property |
| η | 0.0016657 | Pa×s | 301.01 | Calculated Property |
| η | 0.0011518 | Pa×s | 326.05 | Calculated Property |
| η | 0.0008395 | Pa×s | 351.09 | Calculated Property |
| η | 0.0006382 | Pa×s | 376.13 | Calculated Property |
| η | 0.0005021 | Pa×s | 401.18 | Calculated Property |
| η | 0.0004063 | Pa×s | 426.22 | Calculated Property |
| η | 0.0003366 | Pa×s | 451.26 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, 2,4-dichloro (RS, SR).
Sources
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