- InChI
- InChI=1S/C8H14O/c1-5-7(2)8(3,4)6-9/h5-7H,1H2,2-4H3
- InChI Key
- CGJMHDFLIGBWTA-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- C=CC(C)C(C)(C)C=O
- Molecular Weight1
- 126.20
- CAS
- 67682-09-1
- 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).
- 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).
- 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° | 5.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.77 | kJ/mol | Joback Calculated Property |
| log10WS | -1.82 | Crippen Calculated Property | |
| logPoct/wat | 2.034 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Tboil | 424.11 | K | Joback Calculated Property |
| Tc | 613.96 | K | Joback Calculated Property |
| Tfus | 207.58 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.08; 312.24] | J/mol×K | [424.11; 613.96] | 
|
| Cp,gas | 243.08 | J/mol×K | 424.11 | Joback Calculated Property |
| Cp,gas | 256.34 | J/mol×K | 455.75 | Joback Calculated Property |
| Cp,gas | 268.87 | J/mol×K | 487.39 | Joback Calculated Property |
| Cp,gas | 280.69 | J/mol×K | 519.03 | Joback Calculated Property |
| Cp,gas | 291.84 | J/mol×K | 550.67 | Joback Calculated Property |
| Cp,gas | 302.34 | J/mol×K | 582.32 | Joback Calculated Property |
| Cp,gas | 312.24 | J/mol×K | 613.96 | Joback Calculated Property |
| η | [0.0003172; 0.0117759] | Pa×s | [207.58; 424.11] |
|
| η | 0.0117759 | Pa×s | 207.58 | Joback Calculated Property |
| η | 0.0041270 | Pa×s | 243.67 | Joback Calculated Property |
| η | 0.0018957 | Pa×s | 279.76 | Joback Calculated Property |
| η | 0.0010402 | Pa×s | 315.84 | Joback Calculated Property |
| η | 0.0006455 | Pa×s | 351.93 | Joback Calculated Property |
| η | 0.0004378 | Pa×s | 388.02 | Joback Calculated Property |
| η | 0.0003172 | Pa×s | 424.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3-Trimethyl-4-pentenal.
Sources
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