- InChI
- InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3/i3D3,4D2
- InChI Key
- NTIZESTWPVYFNL-IKISXXDZSA-N
- Formula
- C6H7D5O
- SMILES
- CC(=O)CC(C)C
- Molecular Weight1
- 105.19
- CAS
- 4840-81-7
- 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 |
|---|---|---|---|
| ΔfG° | -131.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.31 | kJ/mol | Joback Calculated Property |
| IE | 9.35 | eV | NIST |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3368.44 | kPa | Joback Calculated Property |
| Tboil | 390.11 | K | Joback Calculated Property |
| Tc | 571.85 | K | Joback Calculated Property |
| Tfus | 192.31 | K | Joback Calculated Property |
| Vc | 0.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.67; 234.22] | J/mol×K | [390.11; 571.85] | 
|
| Cp,gas | 177.67 | J/mol×K | 390.11 | Joback Calculated Property |
| Cp,gas | 188.09 | J/mol×K | 420.40 | Joback Calculated Property |
| Cp,gas | 198.11 | J/mol×K | 450.69 | Joback Calculated Property |
| Cp,gas | 207.72 | J/mol×K | 480.98 | Joback Calculated Property |
| Cp,gas | 216.93 | J/mol×K | 511.27 | Joback Calculated Property |
| Cp,gas | 225.77 | J/mol×K | 541.56 | Joback Calculated Property |
| Cp,gas | 234.22 | J/mol×K | 571.85 | Joback Calculated Property |
| η | [0.0002910; 0.0061867] | Pa×s | [192.31; 390.11] |
|
| η | 0.0061867 | Pa×s | 192.31 | Joback Calculated Property |
| η | 0.0025603 | Pa×s | 225.28 | Joback Calculated Property |
| η | 0.0013273 | Pa×s | 258.24 | Joback Calculated Property |
| η | 0.0007984 | Pa×s | 291.21 | Joback Calculated Property |
| η | 0.0005326 | Pa×s | 324.18 | Joback Calculated Property |
| η | 0.0003828 | Pa×s | 357.14 | Joback Calculated Property |
| η | 0.0002910 | Pa×s | 390.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 4-methyl-1,1,1,3,3-d5-.
Sources
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