- InChI
- InChI=1S/C10H14O/c1-4-10(8-11)7-5-6-9(2)3/h4-8H,1-3H3/b7-5-,10-4+
- InChI Key
- GNLLTRIMWRZWBF-ACUVPTBSSA-N
- Formula
- C10H14O
- SMILES
- CC=C(C=O)C=CC=C(C)C
- Molecular Weight1
- 150.22
- CAS
- 99172-18-6
- Other Names
-
- (2E,3Z)-2-Ethylidene-6-methyl-3,5-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° | 157.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| McVol | 140.430 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Inp | 1395.00 | NIST | |
| Tboil | 489.10 | K | Joback Calculated Property |
| Tc | 689.18 | K | Joback Calculated Property |
| Tfus | 201.30 | K | Joback Calculated Property |
| Vc | 0.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.00; 361.27] | J/mol×K | [489.10; 689.18] | 
|
| Cp,gas | 292.00 | J/mol×K | 489.10 | Joback Calculated Property |
| Cp,gas | 305.44 | J/mol×K | 522.45 | Joback Calculated Property |
| Cp,gas | 318.05 | J/mol×K | 555.79 | Joback Calculated Property |
| Cp,gas | 329.88 | J/mol×K | 589.14 | Joback Calculated Property |
| Cp,gas | 340.99 | J/mol×K | 622.49 | Joback Calculated Property |
| Cp,gas | 351.44 | J/mol×K | 655.84 | Joback Calculated Property |
| Cp,gas | 361.27 | J/mol×K | 689.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Heptadienal, 2-ethylidene-6-methyl-.
Sources
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