- InChI
- InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h3,6H,1-2,4-5H2
- InChI Key
- GTQGBVLUEUNXCG-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- C=CC(=C)CCC=O
- Molecular Weight1
- 110.15
- CAS
- 17844-21-2
- Other Names
-
- 4-Methylidenehex-5-enal
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 75.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.64 | kJ/mol | Joback Calculated Property |
| log10WS | -1.74 | Crippen Calculated Property | |
| logPoct/wat | 1.708 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Inp | [896.80; 896.80] |
|
|
| Inp | 896.80 | NIST | |
| Inp | 896.80 | NIST | |
| Tboil | 401.46 | K | Joback Calculated Property |
| Tc | 583.95 | K | Joback Calculated Property |
| Tfus | 193.17 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.15; 239.97] | J/mol×K | [401.46; 583.95] |
|
| Cp,gas | 187.15 | J/mol×K | 401.46 | Joback Calculated Property |
| Cp,gas | 197.09 | J/mol×K | 431.87 | Joback Calculated Property |
| Cp,gas | 206.56 | J/mol×K | 462.29 | Joback Calculated Property |
| Cp,gas | 215.56 | J/mol×K | 492.70 | Joback Calculated Property |
| Cp,gas | 224.12 | J/mol×K | 523.12 | Joback Calculated Property |
| Cp,gas | 232.25 | J/mol×K | 553.53 | Joback Calculated Property |
| Cp,gas | 239.97 | J/mol×K | 583.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexenal, 4-methylene-.
Sources
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