- InChI
- InChI=1S/C9H14O/c1-4-5-8(2)6-9(3)7-10/h5-7H,4H2,1-3H3/b8-5+,9-6+
- InChI Key
- PHOBFHQBEYNKAL-XVYDYJIPSA-N
- Formula
- C9H14O
- SMILES
- CCC=C(C)C=C(C)C=O
- Molecular Weight1
- 138.21
- CAS
- 42452-48-2
- Other Names
-
- 2,4-Dimethyl-2,4-heptadienal
- 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° | 68.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | [1090.00; 1129.00] |
|
|
| Inp | 1090.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Tboil | 462.06 | K | Joback Calculated Property |
| Tc | 655.30 | K | Joback Calculated Property |
| Tfus | 195.11 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.06; 333.66] | J/mol×K | [462.06; 655.30] |
|
| Cp,gas | 266.06 | J/mol×K | 462.06 | Joback Calculated Property |
| Cp,gas | 278.99 | J/mol×K | 494.27 | Joback Calculated Property |
| Cp,gas | 291.21 | J/mol×K | 526.47 | Joback Calculated Property |
| Cp,gas | 302.74 | J/mol×K | 558.68 | Joback Calculated Property |
| Cp,gas | 313.64 | J/mol×K | 590.88 | Joback Calculated Property |
| Cp,gas | 323.93 | J/mol×K | 623.09 | Joback Calculated Property |
| Cp,gas | 333.66 | J/mol×K | 655.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Heptadienal, 2,4-dimethyl-.
Sources
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