- InChI
- InChI=1S/C9H16O/c1-8(5-6-10)7-9(2,3)4/h5-6H,7H2,1-4H3/b8-5+
- InChI Key
- AQHLCHLIIMAFAA-VMPITWQZSA-N
- Formula
- C9H16O
- SMILES
- CC(=CC=O)CC(C)(C)C
- Molecular Weight1
- 140.22
- 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° | -0.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Inp | 1046.00 | NIST | |
| Tboil | 454.79 | K | Joback Calculated Property |
| Tc | 647.33 | K | Joback Calculated Property |
| Tfus | 216.57 | K | Joback Calculated Property |
| Vc | 0.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.01; 359.52] | J/mol×K | [454.79; 647.33] | 
|
| Cp,gas | 285.01 | J/mol×K | 454.79 | Joback Calculated Property |
| Cp,gas | 299.36 | J/mol×K | 486.88 | Joback Calculated Property |
| Cp,gas | 312.88 | J/mol×K | 518.97 | Joback Calculated Property |
| Cp,gas | 325.62 | J/mol×K | 551.06 | Joback Calculated Property |
| Cp,gas | 337.60 | J/mol×K | 583.15 | Joback Calculated Property |
| Cp,gas | 348.89 | J/mol×K | 615.24 | Joback Calculated Property |
| Cp,gas | 359.52 | J/mol×K | 647.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexenal, 3,5,5-trimethyl.
Sources
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