- InChI
- InChI=1S/C9H16O/c1-4-5-9(10)7-6-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+
- InChI Key
- KBOYTXRTSGPWID-VOTSOKGWSA-N
- Formula
- C9H16O
- SMILES
- CCCC(=O)C=CC(C)C
- Molecular Weight1
- 140.22
- CAS
- 32064-78-1
- Other Names
-
- 7-methyl-5-octen-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° | -26.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Tboil | 462.91 | K | Joback Calculated Property |
| Tc | 649.25 | K | Joback Calculated Property |
| Tfus | 221.04 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.62; 353.92] | J/mol×K | [462.91; 649.25] | 
|
| Cp,gas | 281.62 | J/mol×K | 462.91 | Joback Calculated Property |
| Cp,gas | 295.21 | J/mol×K | 493.97 | Joback Calculated Property |
| Cp,gas | 308.15 | J/mol×K | 525.02 | Joback Calculated Property |
| Cp,gas | 320.47 | J/mol×K | 556.08 | Joback Calculated Property |
| Cp,gas | 332.19 | J/mol×K | 587.14 | Joback Calculated Property |
| Cp,gas | 343.33 | J/mol×K | 618.19 | Joback Calculated Property |
| Cp,gas | 353.92 | J/mol×K | 649.25 | Joback Calculated Property |
| η | [0.0002255; 0.0064413] | Pa×s | [221.04; 462.91] |
|
| η | 0.0064413 | Pa×s | 221.04 | Joback Calculated Property |
| η | 0.0023944 | Pa×s | 261.35 | Joback Calculated Property |
| η | 0.0011596 | Pa×s | 301.66 | Joback Calculated Property |
| η | 0.0006662 | Pa×s | 341.97 | Joback Calculated Property |
| η | 0.0004302 | Pa×s | 382.29 | Joback Calculated Property |
| η | 0.0003020 | Pa×s | 422.60 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 462.91 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [340.22; 523.67] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.27643e+01 | |||
| Coefficient B | -3.39561e+03 | |||
| Coefficient C | -6.80630e+01 | |||
| Temperature range, min. | 340.22 | |||
| Temperature range, max. | 523.67 | |||
| Pvap | 1.33 | kPa | 340.22 | Calculated Property |
| Pvap | 3.18 | kPa | 360.60 | Calculated Property |
| Pvap | 6.77 | kPa | 380.99 | Calculated Property |
| Pvap | 13.15 | kPa | 401.37 | Calculated Property |
| Pvap | 23.66 | kPa | 421.75 | Calculated Property |
| Pvap | 39.92 | kPa | 442.14 | Calculated Property |
| Pvap | 63.82 | kPa | 462.52 | Calculated Property |
| Pvap | 97.42 | kPa | 482.90 | Calculated Property |
| Pvap | 142.93 | kPa | 503.29 | Calculated Property |
| Pvap | 202.64 | kPa | 523.67 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Octen-4-one, 7-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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