- InChI
- InChI=1S/C6H10Cl2O/c1-3-5(8)6(9)4(2)7/h4-5H,3H2,1-2H3
- InChI Key
- CDOGVHILADCNET-UHFFFAOYSA-N
- Formula
- C6H10Cl2O
- SMILES
- CCC(Cl)C(=O)C(C)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 | 0.3650 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.200 | Crippen Calculated Property | |
| McVol | 121.450 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Inp | [1011.00; 1011.00] |
|
|
| Inp | 1011.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Tboil | 444.76 | K | Relay (1.0) Calculated Property |
| Tc | 653.82 | K | Relay (1.0) Calculated Property |
| Tfus | 280.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.87; 335.51] | 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 | 2.72110e+01 | |||
| Coefficient B | 5.71240e-01 | |||
| Coefficient C | -3.31100e-04 | |||
| Coefficient D | 6.81600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 218.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 242.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 264.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 283.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 299.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 313.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 325.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 335.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0080703; 0.0003337] | Pa×s | [237.15; 465.56] |
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 | -1.13128e+01 | |||
| Coefficient B | 1.53987e+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. | 237.15 | |||
| Temperature range, max. | 465.56 | |||
| η | 0.0080703 | Pa×s | 237.15 | Calculated Property |
| η | 0.0043080 | Pa×s | 262.53 | Calculated Property |
| η | 0.0025688 | Pa×s | 287.91 | Calculated Property |
| η | 0.0016655 | Pa×s | 313.29 | Calculated Property |
| η | 0.0011524 | Pa×s | 338.67 | Calculated Property |
| η | 0.0008393 | Pa×s | 364.05 | Calculated Property |
| η | 0.0006371 | Pa×s | 389.43 | Calculated Property |
| η | 0.0005002 | Pa×s | 414.81 | Calculated Property |
| η | 0.0004038 | Pa×s | 440.19 | Calculated Property |
| η | 0.0003337 | Pa×s | 465.56 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanone, 2,4-dichloro, (RR, SS).
Sources
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