- InChI
- InChI=1S/C10H18O/c1-5-9(6-2)8(4)10(11)7-3/h5-7H2,1-4H3
- InChI Key
- IDPSLUYWEQFHAM-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- CCC(=O)C(C)=C(CC)CC
- Molecular Weight1
- 154.25
- CAS
- 22319-28-4
- Other Names
-
- 5-ethyl-4-methyl-4-hepten-3-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -32.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 3.102 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Tboil | 485.99 | K | Joback Calculated Property |
| Tc | 673.17 | K | Joback Calculated Property |
| Tfus | 219.39 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.05; 402.56] | J/mol×K | [485.99; 673.17] | 
|
| Cp,gas | 325.05 | J/mol×K | 485.99 | Joback Calculated Property |
| Cp,gas | 339.62 | J/mol×K | 517.19 | Joback Calculated Property |
| Cp,gas | 353.49 | J/mol×K | 548.38 | Joback Calculated Property |
| Cp,gas | 366.69 | J/mol×K | 579.58 | Joback Calculated Property |
| Cp,gas | 379.25 | J/mol×K | 610.78 | Joback Calculated Property |
| Cp,gas | 391.20 | J/mol×K | 641.97 | Joback Calculated Property |
| Cp,gas | 402.56 | J/mol×K | 673.17 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [359.78; 544.30] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.30692e+01 | |||
| Coefficient B | -3.64175e+03 | |||
| Coefficient C | -7.48620e+01 | |||
| Temperature range, min. | 359.78 | |||
| Temperature range, max. | 544.30 | |||
| Pvap | 1.33 | kPa | 359.78 | Calculated Property |
| Pvap | 3.14 | kPa | 380.28 | Calculated Property |
| Pvap | 6.66 | kPa | 400.78 | Calculated Property |
| Pvap | 12.89 | kPa | 421.29 | Calculated Property |
| Pvap | 23.20 | kPa | 441.79 | Calculated Property |
| Pvap | 39.23 | kPa | 462.29 | Calculated Property |
| Pvap | 62.92 | kPa | 482.79 | Calculated Property |
| Pvap | 96.45 | kPa | 503.30 | Calculated Property |
| Pvap | 142.20 | kPa | 523.80 | Calculated Property |
| Pvap | 202.66 | kPa | 544.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hepten-3-one, 5-ethyl-4-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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