- InChI
- InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3/i2D3,5D2
- InChI Key
- QQZOPKMRPOGIEB-ZTIZGVCASA-N
- Formula
- C6H7D5O
- SMILES
- CCCCC(C)=O
- Molecular Weight1
- 105.19
- CAS
- 4840-82-8
- 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).
- 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 | 0.4055 | Relay (... Calculated Property | |
| ΔfG° | -129.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.41 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.44 | kJ/mol | Relay (... Calculated Property |
| IE | 9.49 | eV | Relay (... Calculated Property |
| log10WS | -0.87 | Relay (... Calculated Property | |
| logPoct/wat | 1.766 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Tboil | 403.13 | K | Relay (... Calculated Property |
| Tc | 572.82 | K | Relay (... Calculated Property |
| Tfus | 228.45 | K | Relay (... Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.72; 232.63] | J/mol×K | [390.55; 568.08] | 
|
| Cp,gas | 177.72 | J/mol×K | 390.55 | Joback Calculated Property |
| Cp,gas | 187.80 | J/mol×K | 420.14 | Joback Calculated Property |
| Cp,gas | 197.51 | J/mol×K | 449.73 | Joback Calculated Property |
| Cp,gas | 206.83 | J/mol×K | 479.31 | Joback Calculated Property |
| Cp,gas | 215.79 | J/mol×K | 508.90 | Joback Calculated Property |
| Cp,gas | 224.39 | J/mol×K | 538.49 | Joback Calculated Property |
| Cp,gas | 232.63 | J/mol×K | 568.08 | Joback Calculated Property |
| η | [0.0003010; 0.0038104] | Pa×s | [207.31; 390.55] |
|
| η | 0.0038104 | Pa×s | 207.31 | Joback Calculated Property |
| η | 0.0019023 | Pa×s | 237.85 | Joback Calculated Property |
| η | 0.0011124 | Pa×s | 268.39 | Joback Calculated Property |
| η | 0.0007258 | Pa×s | 298.93 | Joback Calculated Property |
| η | 0.0005126 | Pa×s | 329.47 | Joback Calculated Property |
| η | 0.0003840 | Pa×s | 360.01 | Joback Calculated Property |
| η | 0.0003010 | Pa×s | 390.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone, 1,1,1,3,3-d5-.
Sources
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