- InChI
- InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6,9-11H,5,7-8H2,1-4H3
- InChI Key
- HBZBROBMQHJIBO-UHFFFAOYSA-N
- Formula
- C13H22O
- SMILES
- CC(=O)C=CC=C(C)CCCC(C)C
- Molecular Weight1
- 194.31
- 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).
- 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° | 79.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 187.000 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| I | [1995.00; 1995.00] |
|
|
| I | 1995.00 | NIST | |
| I | 1995.00 | NIST | |
| Tboil | 558.47 | K | Joback Calculated Property |
| Tc | 747.82 | K | Joback Calculated Property |
| Tfus | 247.08 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.37; 536.36] | J/mol×K | [558.47; 747.82] |
|
| Cp,gas | 449.37 | J/mol×K | 558.47 | Joback Calculated Property |
| Cp,gas | 465.86 | J/mol×K | 590.03 | Joback Calculated Property |
| Cp,gas | 481.50 | J/mol×K | 621.59 | Joback Calculated Property |
| Cp,gas | 496.33 | J/mol×K | 653.15 | Joback Calculated Property |
| Cp,gas | 510.38 | J/mol×K | 684.71 | Joback Calculated Property |
| Cp,gas | 523.71 | J/mol×K | 716.27 | Joback Calculated Property |
| Cp,gas | 536.36 | J/mol×K | 747.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E),(Z)-pseudoionone.
Sources
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