- InChI
- InChI=1S/C8H16O/c1-5-7(9)6-8(2,3)4/h5-6H2,1-4H3
- InChI Key
- BARYVXFFVQIMLI-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCC(=O)CC(C)(C)C
- Molecular Weight1
- 128.21
- CAS
- 5340-30-7
- Other Names
-
- 5,5-dimethyl-3-hexanone
- 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 | 0.3826 | Relay (1.0) Calculated Property | |
| ΔfG° | -109.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.402 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Tboil | 417.94 | K | Relay (1.0) Calculated Property |
| Tc | 597.20 | K | Relay (1.0) Calculated Property |
| Tfus | 286.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.73; 330.68] | J/mol×K | [433.08; 619.80] | 
|
| Cp,gas | 257.73 | J/mol×K | 433.08 | Joback Calculated Property |
| Cp,gas | 271.54 | J/mol×K | 464.20 | Joback Calculated Property |
| Cp,gas | 284.66 | J/mol×K | 495.32 | Joback Calculated Property |
| Cp,gas | 297.11 | J/mol×K | 526.44 | Joback Calculated Property |
| Cp,gas | 308.91 | J/mol×K | 557.56 | Joback Calculated Property |
| Cp,gas | 320.09 | J/mol×K | 588.68 | Joback Calculated Property |
| Cp,gas | 330.68 | J/mol×K | 619.80 | Joback Calculated Property |
| η | [0.0003081; 0.0068051] | Pa×s | [232.27; 433.08] |
|
| η | 0.0068051 | Pa×s | 232.27 | Joback Calculated Property |
| η | 0.0029357 | Pa×s | 265.74 | Joback Calculated Property |
| η | 0.0015286 | Pa×s | 299.21 | Joback Calculated Property |
| η | 0.0009076 | Pa×s | 332.67 | Joback Calculated Property |
| η | 0.0005927 | Pa×s | 366.14 | Joback Calculated Property |
| η | 0.0004158 | Pa×s | 399.61 | Joback Calculated Property |
| η | 0.0003081 | Pa×s | 433.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neopentyl ethyl ketone.
Sources
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