- InChI
- InChI=1S/C9H16Cl2O/c1-3-4-5-6-8(11)9(12)7(2)10/h7-8H,3-6H2,1-2H3
- InChI Key
- NYJAYMSCABMYSY-UHFFFAOYSA-N
- Formula
- C9H16Cl2O
- SMILES
- CCCCCC(Cl)C(=O)C(C)Cl
- Molecular Weight1
- 211.13
- 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 | 0.4830 | Relay (... Calculated Property | |
| ΔfG° | -132.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.42 | kJ/mol | Relay (... Calculated Property |
| IE | 9.66 | eV | Relay (... Calculated Property |
| log10WS | -3.31 | Relay (... Calculated Property | |
| logPoct/wat | 3.370 | Crippen Calculated Property | |
| McVol | 163.720 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | [1308.00; 1308.00] |
|
|
| Inp | 1308.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Tboil | 489.67 | K | Relay (... Calculated Property |
| Tc | 694.27 | K | Relay (... Calculated Property |
| Tfus | 292.82 | K | Relay (... Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.23; 425.29] | J/mol×K | [533.17; 725.90] |
|
| Cp,gas | 356.23 | J/mol×K | 533.17 | Joback Calculated Property |
| Cp,gas | 369.31 | J/mol×K | 565.29 | Joback Calculated Property |
| Cp,gas | 381.74 | J/mol×K | 597.41 | Joback Calculated Property |
| Cp,gas | 393.53 | J/mol×K | 629.54 | Joback Calculated Property |
| Cp,gas | 404.71 | J/mol×K | 661.66 | Joback Calculated Property |
| Cp,gas | 415.29 | J/mol×K | 693.78 | Joback Calculated Property |
| Cp,gas | 425.29 | J/mol×K | 725.90 | Joback Calculated Property |
| η | [0.0002562; 0.0069990] | Pa×s | [270.96; 533.17] |
|
| η | 0.0069990 | Pa×s | 270.96 | Joback Calculated Property |
| η | 0.0027503 | Pa×s | 314.66 | Joback Calculated Property |
| η | 0.0013572 | Pa×s | 358.36 | Joback Calculated Property |
| η | 0.0007809 | Pa×s | 402.07 | Joback Calculated Property |
| η | 0.0005008 | Pa×s | 445.77 | Joback Calculated Property |
| η | 0.0003476 | Pa×s | 489.47 | Joback Calculated Property |
| η | 0.0002562 | Pa×s | 533.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nonanone, 2,4-chloro (RR, SS).
Sources
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