- InChI
- InChI=1S/C9H18O/c1-7(2)6-8(10)9(3,4)5/h7H,6H2,1-5H3
- InChI Key
- LXFHNTKYSUCXRB-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CC(C)CC(=O)C(C)(C)C
- Molecular Weight1
- 142.24
- CAS
- 14705-50-1
- 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).
- 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° | -103.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 2.648 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Tboil | [428.00; 431.20] | K |
|
| Tboil | 429.00 ± 3.00 | K | NIST |
| Tboil | 431.00 ± 4.00 | K | NIST |
| Tboil | 428.00 ± 3.00 | K | NIST |
| Tboil | 431.20 ± 3.00 | K | NIST |
| Tc | 644.68 | K | Joback Calculated Property |
| Tfus | 228.54 | K | Joback Calculated Property |
| Vc | 0.528 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.27; 380.33] | J/mol×K | [455.52; 644.68] |
|
| Cp,gas | 300.27 | J/mol×K | 455.52 | Joback Calculated Property |
| Cp,gas | 315.46 | J/mol×K | 487.05 | Joback Calculated Property |
| Cp,gas | 329.87 | J/mol×K | 518.57 | Joback Calculated Property |
| Cp,gas | 343.53 | J/mol×K | 550.10 | Joback Calculated Property |
| Cp,gas | 356.47 | J/mol×K | 581.63 | Joback Calculated Property |
| Cp,gas | 368.73 | J/mol×K | 613.15 | Joback Calculated Property |
| Cp,gas | 380.33 | J/mol×K | 644.68 | Joback Calculated Property |
| η | [0.0002744; 0.0107502] | Pa×s | [228.54; 455.52] |
|
| η | 0.0107502 | Pa×s | 228.54 | Joback Calculated Property |
| η | 0.0037789 | Pa×s | 266.37 | Joback Calculated Property |
| η | 0.0017228 | Pa×s | 304.20 | Joback Calculated Property |
| η | 0.0009345 | Pa×s | 342.03 | Joback Calculated Property |
| η | 0.0005726 | Pa×s | 379.86 | Joback Calculated Property |
| η | 0.0003834 | Pa×s | 417.69 | Joback Calculated Property |
| η | 0.0002744 | Pa×s | 455.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to t-Butyl isobutyl ketone.
Sources
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