- InChI
- InChI=1S/C6H10Cl2O/c1-2-3-4-5(9)6(7)8/h6H,2-4H2,1H3
- InChI Key
- AVKICCCNTFCREG-UHFFFAOYSA-N
- Formula
- C6H10Cl2O
- SMILES
- CCCCC(=O)C(Cl)Cl
- Molecular Weight1
- 169.05
- 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 | 0.3922 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.549 | Crippen Calculated Property | |
| McVol | 121.450 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Inp | [968.00; 968.00] |
|
|
| Inp | 968.00 | NIST | |
| Inp | 968.00 | NIST | |
| Tboil | 448.17 | K | Relay (1.0) Calculated Property |
| Tc | 650.52 | K | Relay (1.0) Calculated Property |
| Tfus | 263.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.18; 334.97] | 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 | 2.88930e+01 | |||
| Coefficient B | 5.65320e-01 | |||
| Coefficient C | -3.27900e-04 | |||
| Coefficient D | 6.86600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 218.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 242.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 263.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 282.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 298.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 312.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 324.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 334.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053974; 0.0003588] | Pa×s | [252.15; 462.72] |
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 | -1.11788e+01 | |||
| Coefficient B | 1.50205e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 252.15 | |||
| Temperature range, max. | 462.72 | |||
| η | 0.0053974 | Pa×s | 252.15 | Calculated Property |
| η | 0.0032548 | Pa×s | 275.55 | Calculated Property |
| η | 0.0021244 | Pa×s | 298.94 | Calculated Property |
| η | 0.0014752 | Pa×s | 322.34 | Calculated Property |
| η | 0.0010762 | Pa×s | 345.74 | Calculated Property |
| η | 0.0008172 | Pa×s | 369.13 | Calculated Property |
| η | 0.0006412 | Pa×s | 392.53 | Calculated Property |
| η | 0.0005170 | Pa×s | 415.93 | Calculated Property |
| η | 0.0004265 | Pa×s | 439.32 | Calculated Property |
| η | 0.0003588 | Pa×s | 462.72 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone, 1,1-dichloro.
Sources
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