- InChI
- InChI=1S/C7H10O/c1-4-5-7(2,3)6-8/h5-6H,1H2,2-3H3
- InChI Key
- QAMJLJHOJKMLEU-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- C=C=CC(C)(C)C=O
- Molecular Weight1
- 110.15
- CAS
- 4058-51-9
- Other Names
-
- 2,2-Dimethyl 3,4-pentadienal
- 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° | 127.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 6.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.52 | Crippen Calculated Property | |
| logPoct/wat | 1.553 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| I | 1573.00 | NIST | |
| Tboil | 404.94 | K | Joback Calculated Property |
| Tc | 604.21 | K | Joback Calculated Property |
| Tfus | 217.82 | K | Joback Calculated Property |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.72; 249.67] | J/mol×K | [404.94; 604.21] | 
|
| Cp,gas | 193.72 | J/mol×K | 404.94 | Joback Calculated Property |
| Cp,gas | 204.42 | J/mol×K | 438.15 | Joback Calculated Property |
| Cp,gas | 214.54 | J/mol×K | 471.36 | Joback Calculated Property |
| Cp,gas | 224.10 | J/mol×K | 504.58 | Joback Calculated Property |
| Cp,gas | 233.13 | J/mol×K | 537.79 | Joback Calculated Property |
| Cp,gas | 241.65 | J/mol×K | 571.00 | Joback Calculated Property |
| Cp,gas | 249.67 | J/mol×K | 604.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Pentadienal, 2,2-dimethyl-.
Sources
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