- InChI
- InChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h8H,4-7H2,1-3H3
- InChI Key
- NXTOCVYXABBSGX-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCCCC(=O)C(C)CC
- Molecular Weight1
- 142.24
- CAS
- 20754-04-5
- 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).
- I : Polar retention indices.
- 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 | 0.4570 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2472.73 | kPa | Joback Calculated Property |
| I | 1968.00 | NIST | |
| Tboil | 447.00 ± 4.00 | K | NIST |
| Tc | 622.52 | K | Relay (1.0) Calculated Property |
| Tfus | 247.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.82; 372.87] | J/mol×K | [458.75; 636.64] | 
|
| Cp,gas | 297.82 | J/mol×K | 458.75 | Joback Calculated Property |
| Cp,gas | 311.71 | J/mol×K | 488.40 | Joback Calculated Property |
| Cp,gas | 325.02 | J/mol×K | 518.05 | Joback Calculated Property |
| Cp,gas | 337.78 | J/mol×K | 547.69 | Joback Calculated Property |
| Cp,gas | 350.00 | J/mol×K | 577.34 | Joback Calculated Property |
| Cp,gas | 361.70 | J/mol×K | 606.99 | Joback Calculated Property |
| Cp,gas | 372.87 | J/mol×K | 636.64 | Joback Calculated Property |
| η | [0.0002699; 0.0068479] | Pa×s | [226.12; 458.75] |
|
| η | 0.0068479 | Pa×s | 226.12 | Joback Calculated Property |
| η | 0.0026929 | Pa×s | 264.89 | Joback Calculated Property |
| η | 0.0013439 | Pa×s | 303.66 | Joback Calculated Property |
| η | 0.0007850 | Pa×s | 342.44 | Joback Calculated Property |
| η | 0.0005116 | Pa×s | 381.21 | Joback Calculated Property |
| η | 0.0003608 | Pa×s | 419.98 | Joback Calculated Property |
| η | 0.0002699 | Pa×s | 458.75 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [335.22; 474.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50698e+01 | |||
| Coefficient B | -3.98769e+03 | |||
| Coefficient C | -6.54580e+01 | |||
| Temperature range, min. | 335.22 | |||
| Temperature range, max. | 474.10 | |||
| Pvap | 1.33 | kPa | 335.22 | Calculated Property |
| Pvap | 2.97 | kPa | 350.65 | Calculated Property |
| Pvap | 6.08 | kPa | 366.08 | Calculated Property |
| Pvap | 11.62 | kPa | 381.51 | Calculated Property |
| Pvap | 20.91 | kPa | 396.94 | Calculated Property |
| Pvap | 35.70 | kPa | 412.38 | Calculated Property |
| Pvap | 58.25 | kPa | 427.81 | Calculated Property |
| Pvap | 91.31 | kPa | 443.24 | Calculated Property |
| Pvap | 138.17 | kPa | 458.67 | Calculated Property |
| Pvap | 202.64 | kPa | 474.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-4-octanone.
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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