- InChI
- InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
- InChI Key
- BATOPAZDIZEVQF-MQQKCMAXSA-N
- Formula
- C6H8O
- SMILES
- CC=CC=CC=O
- Molecular Weight1
- 96.13
- CAS
- 142-83-6
- Other Names
-
- Sorbaldehyde
- n-Hex-2,4-dienal, trans,trans-
- Hexa-2,4-dienal, (E,E)-
- Sorbic aldehyde
- 2,4-Hexadien-1-al, (E,E)-
- (E,E)-2,4-Hexadienal
- trans,trans-2,4-Hexadienal
- 2,4-(E,E)-Hexadienal
- (2E,4E)-Hexadienal
- (E)-2,(E)-4-Hexadienal
- (E,E)-Hexa-2,4-dienal
- trans,trans-Hexa-2,4-dienal
- t,t-2,4-Hexadienal
- 2,4-Hexadienal, (2E,4E)-
- hexa-2,4-dienal
- 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).
- 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° | 60.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.59 | kJ/mol | Joback Calculated Property |
| IE | 9.22 ± 0.03 | eV | NIST |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 1.318 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Inp | [876.00; 925.00] |
|
|
| Inp | 909.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 881.10 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 924.00 | NIST | |
| I | [1351.00; 1443.00] |
|
|
| I | 1394.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1407.00 | NIST | |
| I | 1408.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1414.00 | NIST | |
| I | 1428.00 | NIST | |
| I | Outlier 1441.00 | NIST | |
| I | Outlier 1443.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1407.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1402.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1409.00 | NIST | |
| I | Outlier 1351.00 | NIST | |
| I | 1365.00 | NIST | |
| I | 1379.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1394.00 | NIST | |
| Tboil | 393.66 | K | Joback Calculated Property |
| Tc | 584.72 | K | Joback Calculated Property |
| Tfus | 189.22 | K | Joback Calculated Property |
| Vc | 0.348 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.61; 196.67] | J/mol×K | [393.66; 584.72] |
|
| Cp,gas | 149.61 | J/mol×K | 393.66 | Joback Calculated Property |
| Cp,gas | 158.72 | J/mol×K | 425.50 | Joback Calculated Property |
| Cp,gas | 167.28 | J/mol×K | 457.35 | Joback Calculated Property |
| Cp,gas | 175.32 | J/mol×K | 489.19 | Joback Calculated Property |
| Cp,gas | 182.88 | J/mol×K | 521.04 | Joback Calculated Property |
| Cp,gas | 189.99 | J/mol×K | 552.88 | Joback Calculated Property |
| Cp,gas | 196.67 | J/mol×K | 584.72 | Joback Calculated Property |
| η | [0.0002152; 0.0035420] | Pa×s | [189.22; 393.66] |
|
| η | 0.0035420 | Pa×s | 189.22 | Joback Calculated Property |
| η | 0.0015554 | Pa×s | 223.29 | Joback Calculated Property |
| η | 0.0008493 | Pa×s | 257.37 | Joback Calculated Property |
| η | 0.0005342 | Pa×s | 291.44 | Joback Calculated Property |
| η | 0.0003703 | Pa×s | 325.51 | Joback Calculated Property |
| η | 0.0002751 | Pa×s | 359.59 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 393.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadienal, (E,E)-.
Sources
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