- InChI
- InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3/b4-3+,6-5+,8-7-
- InChI Key
- XHDSWFFUGPJMMN-GFCVGDSUSA-N
- Formula
- C9H12O
- SMILES
- CC/C=C/C=C\C=C\C=O
- Molecular Weight1
- 136.19
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3010 | Relay (1.0) Calculated Property | |
| ΔfG° | 166.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.264 | Crippen Calculated Property | |
| McVol | 126.340 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| I | [1841.00; 1845.00] |
|
|
| I | 1841.00 | NIST | |
| I | 1845.00 | NIST | |
| I | 1841.00 | NIST | |
| Tboil | 463.32 | K | Relay (1.0) Calculated Property |
| Tc | 671.72 | K | Relay (1.0) Calculated Property |
| Tfus | 314.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.68; 312.04] | J/mol×K | [466.46; 661.54] |
|
| Cp,gas | 249.68 | J/mol×K | 466.46 | Joback Calculated Property |
| Cp,gas | 261.80 | J/mol×K | 498.97 | Joback Calculated Property |
| Cp,gas | 273.16 | J/mol×K | 531.49 | Joback Calculated Property |
| Cp,gas | 283.82 | J/mol×K | 564.00 | Joback Calculated Property |
| Cp,gas | 293.82 | J/mol×K | 596.51 | Joback Calculated Property |
| Cp,gas | 303.21 | J/mol×K | 629.02 | Joback Calculated Property |
| Cp,gas | 312.04 | J/mol×K | 661.54 | Joback Calculated Property |
| η | [0.0001789; 0.0040805] | Pa×s | [217.95; 466.46] |
|
| η | 0.0040805 | Pa×s | 217.95 | Joback Calculated Property |
| η | 0.0015983 | Pa×s | 259.37 | Joback Calculated Property |
| η | 0.0008104 | Pa×s | 300.79 | Joback Calculated Property |
| η | 0.0004843 | Pa×s | 342.20 | Joback Calculated Property |
| η | 0.0003235 | Pa×s | 383.62 | Joback Calculated Property |
| η | 0.0002337 | Pa×s | 425.04 | Joback Calculated Property |
| η | 0.0001789 | Pa×s | 466.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,Z,Z)-2,4,6-nonatrienal.
Sources
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