- InChI
- InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5+
- InChI Key
- VWYBQOFZVSNDAW-AATRIKPKSA-N
- Formula
- C8H12O
- SMILES
- C=CC(=O)CC=CCC
- Molecular Weight1
- 124.18
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 55.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 2.098 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | [962.00; 988.00] |
|
|
| Inp | 962.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 962.00 | NIST | |
| I | [1358.00; 1358.00] |
|
|
| I | 1358.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1358.00 | NIST | |
| Tboil | 437.15 | K | Joback Calculated Property |
| Tc | 625.01 | K | Joback Calculated Property |
| Tfus | 223.01 | K | Joback Calculated Property |
| Vc | 0.451 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.71; 284.73] | J/mol×K | [437.15; 625.01] |
|
| Cp,gas | 223.71 | J/mol×K | 437.15 | Joback Calculated Property |
| Cp,gas | 235.28 | J/mol×K | 468.46 | Joback Calculated Property |
| Cp,gas | 246.25 | J/mol×K | 499.77 | Joback Calculated Property |
| Cp,gas | 256.66 | J/mol×K | 531.08 | Joback Calculated Property |
| Cp,gas | 266.53 | J/mol×K | 562.39 | Joback Calculated Property |
| Cp,gas | 275.88 | J/mol×K | 593.70 | Joback Calculated Property |
| Cp,gas | 284.73 | J/mol×K | 625.01 | Joback Calculated Property |
| η | [0.0002438; 0.0035628] | Pa×s | [223.01; 437.15] |
|
| η | 0.0035628 | Pa×s | 223.01 | Joback Calculated Property |
| η | 0.0016740 | Pa×s | 258.70 | Joback Calculated Property |
| η | 0.0009446 | Pa×s | 294.39 | Joback Calculated Property |
| η | 0.0006033 | Pa×s | 330.08 | Joback Calculated Property |
| η | 0.0004205 | Pa×s | 365.77 | Joback Calculated Property |
| η | 0.0003125 | Pa×s | 401.46 | Joback Calculated Property |
| η | 0.0002438 | Pa×s | 437.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-octadien-3-one.
Sources
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