- InChI
- InChI=1S/C8H16O/c1-5-6-8(3,4)7(2)9/h5-6H2,1-4H3
- InChI Key
- LJZPWSZYYTUCDP-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCCC(C)(C)C(C)=O
- Molecular Weight1
- 128.21
- CAS
- 26118-38-7
- Other Names
-
- 3,3-dimethyl-2-hexanone
- 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).
- Pvap : Vapor 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° | -109.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen 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 | 433.08 | K | Joback Calculated Property |
| Tc | 619.80 | K | Joback Calculated Property |
| Tfus | 232.27 | K | Joback Calculated Property |
| Vc | 0.478 | m3/kmol | Joback 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [315.94; 466.22] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39088e+01 | |||
| Coefficient B | -3.50314e+03 | |||
| Coefficient C | -5.87580e+01 | |||
| Temperature range, min. | 315.94 | |||
| Temperature range, max. | 466.22 | |||
| Pvap | 1.33 | kPa | 315.94 | Calculated Property |
| Pvap | 3.06 | kPa | 332.64 | Calculated Property |
| Pvap | 6.38 | kPa | 349.34 | Calculated Property |
| Pvap | 12.28 | kPa | 366.03 | Calculated Property |
| Pvap | 22.10 | kPa | 382.73 | Calculated Property |
| Pvap | 37.55 | kPa | 399.43 | Calculated Property |
| Pvap | 60.72 | kPa | 416.13 | Calculated Property |
| Pvap | 94.05 | kPa | 432.82 | Calculated Property |
| Pvap | 140.33 | kPa | 449.52 | Calculated Property |
| Pvap | 202.63 | kPa | 466.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone, 3,3-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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