- InChI
- InChI=1S/C8H16O/c1-5-6(2)7(3)8(4)9/h6-7H,5H2,1-4H3
- InChI Key
- YGXOERUAAWTDEV-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCC(C)C(C)C(C)=O
- Molecular Weight1
- 128.21
- CAS
- 19550-10-8
- Other Names
-
- 3,4-Dimethyl-2-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).
- 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 |
|---|---|---|---|
| ω | 0.3979 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.258 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Tboil | [427.00; 431.20] | K |
|
| Tboil | 431.20 | K | NIST |
| Tboil | 427.00 ± 3.00 | K | NIST |
| Tboil | 431.00 ± 3.00 | K | NIST |
| Tc | 616.33 | K | Relay (1.0) Calculated Property |
| Tfus | 243.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.61; 326.99] | J/mol×K | [435.43; 618.82] |
|
| Cp,gas | 255.61 | J/mol×K | 435.43 | Joback Calculated Property |
| Cp,gas | 268.85 | J/mol×K | 466.00 | Joback Calculated Property |
| Cp,gas | 281.53 | J/mol×K | 496.56 | Joback Calculated Property |
| Cp,gas | 293.67 | J/mol×K | 527.13 | Joback Calculated Property |
| Cp,gas | 305.29 | J/mol×K | 557.69 | Joback Calculated Property |
| Cp,gas | 316.39 | J/mol×K | 588.26 | Joback Calculated Property |
| Cp,gas | 326.99 | J/mol×K | 618.82 | Joback Calculated Property |
| η | [0.0002700; 0.0114893] | Pa×s | [199.85; 435.43] |
|
| η | 0.0114893 | Pa×s | 199.85 | Joback Calculated Property |
| η | 0.0036803 | Pa×s | 239.11 | Joback Calculated Property |
| η | 0.0016253 | Pa×s | 278.38 | Joback Calculated Property |
| η | 0.0008785 | Pa×s | 317.64 | Joback Calculated Property |
| η | 0.0005437 | Pa×s | 356.90 | Joback Calculated Property |
| η | 0.0003700 | Pa×s | 396.17 | Joback Calculated Property |
| η | 0.0002700 | Pa×s | 435.43 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [322.42; 457.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50256e+01 | |||
| Coefficient B | -3.85265e+03 | |||
| Coefficient C | -6.10100e+01 | |||
| Temperature range, min. | 322.42 | |||
| Temperature range, max. | 457.61 | |||
| Pvap | 1.33 | kPa | 322.42 | Calculated Property |
| Pvap | 2.97 | kPa | 337.44 | Calculated Property |
| Pvap | 6.09 | kPa | 352.46 | Calculated Property |
| Pvap | 11.64 | kPa | 367.48 | Calculated Property |
| Pvap | 20.95 | kPa | 382.50 | Calculated Property |
| Pvap | 35.76 | kPa | 397.53 | Calculated Property |
| Pvap | 58.33 | kPa | 412.55 | Calculated Property |
| Pvap | 91.40 | kPa | 427.57 | Calculated Property |
| Pvap | 138.24 | kPa | 442.59 | Calculated Property |
| Pvap | 202.63 | kPa | 457.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone, 3,4-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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