- InChI
- InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h3-4,6-8H,2,5H2,1H3/b4-3?,7-6+
- InChI Key
- YUPOVSHIQPPPSA-CWWKMNTPSA-N
- Formula
- C8H12O
- SMILES
- CC/C=C\C/C=C\C=O
- Molecular Weight1
- 124.18
- 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 | 0.3269 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.098 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| I | [1425.00; 1425.00] |
|
|
| I | 1425.00 | NIST | |
| I | 1425.00 | NIST | |
| Tboil | 444.16 | K | Relay (1.0) Calculated Property |
| Tc | 638.07 | K | Relay (1.0) Calculated Property |
| Tfus | 187.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.405 | 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 | [225.21; 285.43] | J/mol×K | [439.42; 627.33] |
|
| Cp,gas | 225.21 | J/mol×K | 439.42 | Joback Calculated Property |
| Cp,gas | 236.72 | J/mol×K | 470.74 | Joback Calculated Property |
| Cp,gas | 247.60 | J/mol×K | 502.06 | Joback Calculated Property |
| Cp,gas | 257.87 | J/mol×K | 533.38 | Joback Calculated Property |
| Cp,gas | 267.58 | J/mol×K | 564.70 | Joback Calculated Property |
| Cp,gas | 276.76 | J/mol×K | 596.01 | Joback Calculated Property |
| Cp,gas | 285.43 | J/mol×K | 627.33 | Joback Calculated Property |
| η | [0.0002188; 0.0042123] | Pa×s | [211.76; 439.42] |
|
| η | 0.0042123 | Pa×s | 211.76 | Joback Calculated Property |
| η | 0.0017693 | Pa×s | 249.70 | Joback Calculated Property |
| η | 0.0009343 | Pa×s | 287.65 | Joback Calculated Property |
| η | 0.0005725 | Pa×s | 325.59 | Joback Calculated Property |
| η | 0.0003886 | Pa×s | 363.53 | Joback Calculated Property |
| η | 0.0002838 | Pa×s | 401.48 | Joback Calculated Property |
| η | 0.0002188 | Pa×s | 439.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Octadienal, (Z,Z).
Sources
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