- 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).
- Inp : Non-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° | 59.00 | 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 |
| Inp | 1271.00 | NIST | |
| Tboil | 463.32 | K | Relay (1.0) Calculated Property |
| Tc | 674.71 | K | Relay (1.0) Calculated Property |
| Tfus | 310.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.31; 382.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.64390e+01 | |||
| Coefficient B | 8.93320e-01 | |||
| Coefficient C | -7.10200e-04 | |||
| Coefficient D | 2.36000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 237.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 267.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 293.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 316.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 335.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 352.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 367.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 382.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040805; 0.0001823] | Pa×s | [217.95; 463.27] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13709e+01 | |||
| Coefficient B | 1.27923e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 217.95 | |||
| Temperature range, max. | 463.27 | |||
| η | 0.0040805 | Pa×s | 217.95 | Calculated Property |
| η | 0.0021250 | Pa×s | 245.21 | Calculated Property |
| η | 0.0012609 | Pa×s | 272.47 | Calculated Property |
| η | 0.0008227 | Pa×s | 299.72 | Calculated Property |
| η | 0.0005764 | Pa×s | 326.98 | Calculated Property |
| η | 0.0004266 | Pa×s | 354.24 | Calculated Property |
| η | 0.0003296 | Pa×s | 381.50 | Calculated Property |
| η | 0.0002635 | Pa×s | 408.76 | Calculated Property |
| η | 0.0002167 | Pa×s | 436.02 | Calculated Property |
| η | 0.0001823 | Pa×s | 463.27 | Calculated Property |
Similar Compounds
Find more compounds similar to (E,Z,E)-2,4,6-Nonatrienal.
Sources
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