- InChI
- InChI=1S/C8H14Cl2O/c1-4-5(2)7(10)8(11)6(3)9/h5-7H,4H2,1-3H3
- InChI Key
- KDLBNTUOPSRHRY-UHFFFAOYSA-N
- Formula
- C8H14Cl2O
- SMILES
- CCC(C)C(Cl)C(=O)C(C)Cl
- Molecular Weight1
- 197.10
- 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 | 0.3992 | Relay (... Calculated Property | |
| ΔfG° | -143.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.42 | kJ/mol | Relay (... Calculated Property |
| IE | 9.60 | eV | Relay (... Calculated Property |
| log10WS | -2.83 | Relay (... Calculated Property | |
| logPoct/wat | 2.836 | Crippen Calculated Property | |
| McVol | 149.630 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [1180.00; 1180.00] |
|
|
| Inp | 1180.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Tboil | 465.43 | K | Relay (... Calculated Property |
| Tc | 679.60 | K | Relay (... Calculated Property |
| Tfus | 314.10 | K | Relay (... Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.79; 377.58] | J/mol×K | [509.85; 709.33] |
|
| Cp,gas | 311.79 | J/mol×K | 509.85 | Joback Calculated Property |
| Cp,gas | 324.31 | J/mol×K | 543.10 | Joback Calculated Property |
| Cp,gas | 336.18 | J/mol×K | 576.34 | Joback Calculated Property |
| Cp,gas | 347.43 | J/mol×K | 609.59 | Joback Calculated Property |
| Cp,gas | 358.06 | J/mol×K | 642.84 | Joback Calculated Property |
| Cp,gas | 368.10 | J/mol×K | 676.09 | Joback Calculated Property |
| Cp,gas | 377.58 | J/mol×K | 709.33 | Joback Calculated Property |
| η | [0.0002672; 0.0114024] | Pa×s | [244.69; 509.85] |
|
| η | 0.0114024 | Pa×s | 244.69 | Joback Calculated Property |
| η | 0.0037800 | Pa×s | 288.88 | Joback Calculated Property |
| η | 0.0016797 | Pa×s | 333.08 | Joback Calculated Property |
| η | 0.0009026 | Pa×s | 377.27 | Joback Calculated Property |
| η | 0.0005525 | Pa×s | 421.46 | Joback Calculated Property |
| η | 0.0003712 | Pa×s | 465.66 | Joback Calculated Property |
| η | 0.0002672 | Pa×s | 509.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptanone, 2,4-dichloro-5-methyl (RR, SS).
Sources
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