- InChI
- InChI=1S/C10H20O/c1-4-7-8-10(11)9(5-2)6-3/h9H,4-8H2,1-3H3
- InChI Key
- XIQNUWMKJWNUCQ-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CCCCC(=O)C(CC)CC
- Molecular Weight1
- 156.27
- CAS
- 19781-29-4
- 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).
- 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 | 0.4850 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.182 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2252.53 | kPa | Joback Calculated Property |
| Tboil | 458.13 | K | Relay (1.0) Calculated Property |
| Tc | 644.72 | K | Relay (1.0) Calculated Property |
| Tfus | 231.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.14; 422.05] | J/mol×K | [481.63; 658.01] | 
|
| Cp,gas | 342.14 | J/mol×K | 481.63 | Joback Calculated Property |
| Cp,gas | 356.94 | J/mol×K | 511.03 | Joback Calculated Property |
| Cp,gas | 371.13 | J/mol×K | 540.42 | Joback Calculated Property |
| Cp,gas | 384.72 | J/mol×K | 569.82 | Joback Calculated Property |
| Cp,gas | 397.72 | J/mol×K | 599.22 | Joback Calculated Property |
| Cp,gas | 410.16 | J/mol×K | 628.61 | Joback Calculated Property |
| Cp,gas | 422.05 | J/mol×K | 658.01 | Joback Calculated Property |
| η | [0.0002545; 0.0067728] | Pa×s | [237.39; 481.63] |
|
| η | 0.0067728 | Pa×s | 237.39 | Joback Calculated Property |
| η | 0.0026268 | Pa×s | 278.10 | Joback Calculated Property |
| η | 0.0012976 | Pa×s | 318.80 | Joback Calculated Property |
| η | 0.0007520 | Pa×s | 359.51 | Joback Calculated Property |
| η | 0.0004869 | Pa×s | 400.22 | Joback Calculated Property |
| η | 0.0003417 | Pa×s | 440.92 | Joback Calculated Property |
| η | 0.0002545 | Pa×s | 481.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-4-octanone.
Sources
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