- InChI
- InChI=1S/C9H18O/c1-7(10)9(5,6)8(2,3)4/h1-6H3
- InChI Key
- VVCKMVBQLNBXOE-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CC(=O)C(C)(C)C(C)(C)C
- Molecular Weight1
- 142.24
- CAS
- 865-66-7
- 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 | 0.3375 | Relay (... Calculated Property | |
| ΔfG° | -98.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.70 ± 1.80 | kJ/mol | NIST |
| ΔfusH° | 5.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.57 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -2.23 | Relay (... Calculated Property | |
| logPoct/wat | 2.648 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Tboil | [441.00; 446.00] | K |
|
| Tboil | 441.00 ± 5.00 | K | NIST |
| Tboil | 446.00 ± 6.00 | K | NIST |
| Tboil | 441.00 ± 4.00 | K | NIST |
| Tboil | 441.00 ± 8.00 | K | NIST |
| Tc | 641.25 | K | Relay (... Calculated Property |
| Tfus | [331.90; 337.00] | K |
|
| Tfus | 331.90 ± 2.00 | K | NIST |
| Tfus | 335.00 ± 3.00 | K | NIST |
| Tfus | 334.00 ± 6.00 | K | NIST |
| Tfus | 337.00 ± 2.00 | K | NIST |
| Vc | 0.475 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.55; 385.96] | J/mol×K | [452.73; 649.78] |
|
| Cp,gas | 302.55 | J/mol×K | 452.73 | Joback Calculated Property |
| Cp,gas | 318.74 | J/mol×K | 485.57 | Joback Calculated Property |
| Cp,gas | 333.95 | J/mol×K | 518.41 | Joback Calculated Property |
| Cp,gas | 348.22 | J/mol×K | 551.25 | Joback Calculated Property |
| Cp,gas | 361.62 | J/mol×K | 584.10 | Joback Calculated Property |
| Cp,gas | 374.18 | J/mol×K | 616.94 | Joback Calculated Property |
| Cp,gas | 385.96 | J/mol×K | 649.78 | Joback Calculated Property |
| η | [0.0002944; 0.0097546] | Pa×s | [245.96; 452.73] |
|
| η | 0.0097546 | Pa×s | 245.96 | Joback Calculated Property |
| η | 0.0038032 | Pa×s | 280.42 | Joback Calculated Property |
| η | 0.0018223 | Pa×s | 314.88 | Joback Calculated Property |
| η | 0.0010096 | Pa×s | 349.35 | Joback Calculated Property |
| η | 0.0006219 | Pa×s | 383.81 | Joback Calculated Property |
| η | 0.0004149 | Pa×s | 418.27 | Joback Calculated Property |
| η | 0.0002944 | Pa×s | 452.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 3,3,4,4-tetramethyl-.
Sources
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