- InChI
- InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
- InChI Key
- VJQKJGLHKJYTQM-SNAWJCMRSA-N
- Formula
- C8H14O
- SMILES
- CC=CC(=O)CC(C)C
- Molecular Weight1
- 126.20
- CAS
- 49852-35-9
- Other Names
-
- 6-methyl-2-hepten-4-one
- 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° | -34.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.178 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2881.21 | kPa | Joback Calculated Property |
| Tboil | 440.03 | K | Joback Calculated Property |
| Tc | 628.20 | K | Joback Calculated Property |
| Tfus | 209.77 | K | Joback Calculated Property |
| Vc | 0.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.81; 306.55] | J/mol×K | [440.03; 628.20] | 
|
| Cp,gas | 239.81 | J/mol×K | 440.03 | Joback Calculated Property |
| Cp,gas | 252.37 | J/mol×K | 471.39 | Joback Calculated Property |
| Cp,gas | 264.33 | J/mol×K | 502.75 | Joback Calculated Property |
| Cp,gas | 275.70 | J/mol×K | 534.12 | Joback Calculated Property |
| Cp,gas | 286.51 | J/mol×K | 565.48 | Joback Calculated Property |
| Cp,gas | 296.79 | J/mol×K | 596.84 | Joback Calculated Property |
| Cp,gas | 306.55 | J/mol×K | 628.20 | Joback Calculated Property |
| η | [0.0002344; 0.0063735] | Pa×s | [209.77; 440.03] |
|
| η | 0.0063735 | Pa×s | 209.77 | Joback Calculated Property |
| η | 0.0024014 | Pa×s | 248.15 | Joback Calculated Property |
| η | 0.0011752 | Pa×s | 286.52 | Joback Calculated Property |
| η | 0.0006809 | Pa×s | 324.90 | Joback Calculated Property |
| η | 0.0004427 | Pa×s | 363.28 | Joback Calculated Property |
| η | 0.0003125 | Pa×s | 401.65 | Joback Calculated Property |
| η | 0.0002344 | Pa×s | 440.03 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [329.52; 497.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32542e+01 | |||
| Coefficient B | -3.43841e+03 | |||
| Coefficient C | -6.43460e+01 | |||
| Temperature range, min. | 329.52 | |||
| Temperature range, max. | 497.25 | |||
| Pvap | 1.33 | kPa | 329.52 | Calculated Property |
| Pvap | 3.12 | kPa | 348.16 | Calculated Property |
| Pvap | 6.59 | kPa | 366.79 | Calculated Property |
| Pvap | 12.75 | kPa | 385.43 | Calculated Property |
| Pvap | 22.94 | kPa | 404.07 | Calculated Property |
| Pvap | 38.83 | kPa | 422.70 | Calculated Property |
| Pvap | 62.40 | kPa | 441.34 | Calculated Property |
| Pvap | 95.89 | kPa | 459.98 | Calculated Property |
| Pvap | 141.77 | kPa | 478.61 | Calculated Property |
| Pvap | 202.66 | kPa | 497.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hepten-4-one, 6-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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