- InChI
- InChI=1S/C8H14O/c1-7(6-9)5-8(2,3)4/h5-6H,1-4H3/b7-5+
- InChI Key
- ANXYYWCILNEABR-FNORWQNLSA-N
- Formula
- C8H14O
- SMILES
- CC(C=O)=CC(C)(C)C
- Molecular Weight1
- 126.20
- CAS
- 53907-61-2
- Other Names
-
- 2,4,4-Trimethyl-2-pentenal
- 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).
- 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° | -8.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.178 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| I | [1254.00; 1254.00] |
|
|
| I | 1254.00 | NIST | |
| I | 1254.00 | NIST | |
| Tboil | 431.91 | K | Joback Calculated Property |
| Tc | 626.48 | K | Joback Calculated Property |
| Tfus | 205.30 | K | Joback Calculated Property |
| Vc | 0.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.32; 312.50] | J/mol×K | [431.91; 626.48] |
|
| Cp,gas | 243.32 | J/mol×K | 431.91 | Joback Calculated Property |
| Cp,gas | 256.71 | J/mol×K | 464.34 | Joback Calculated Property |
| Cp,gas | 269.30 | J/mol×K | 496.77 | Joback Calculated Property |
| Cp,gas | 281.13 | J/mol×K | 529.19 | Joback Calculated Property |
| Cp,gas | 292.25 | J/mol×K | 561.62 | Joback Calculated Property |
| Cp,gas | 302.69 | J/mol×K | 594.05 | Joback Calculated Property |
| Cp,gas | 312.50 | J/mol×K | 626.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentenal, 2,4,4-trimethyl-.
Sources
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