- InChI
- InChI=1S/C7H10/c1-4-6-7(3)5-2/h4-6H,1-2H2,3H3/b7-6+
- InChI Key
- NEVFABBVOIJXHE-VOTSOKGWSA-N
- Formula
- C7H10
- SMILES
- C=CC=C(C)C=C
- Molecular Weight1
- 94.15
- CAS
- 24587-26-6
- Other Names
-
- trans-3-Methyl-1,3,5-Hexatriene
- 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).
- IE : Ionization energy (eV).
- 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° | 255.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 170.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.87 | kJ/mol | Joback Calculated Property |
| IE | 8.28 | eV | NIST |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 2.305 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 3269.04 | kPa | Joback Calculated Property |
| Tboil | 356.96 | K | Joback Calculated Property |
| Tc | 540.47 | K | Joback Calculated Property |
| Tfus | 146.09 | K | Joback Calculated Property |
| Vc | 0.370 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.04; 209.12] | J/mol×K | [356.96; 540.47] | 
|
| Cp,gas | 153.04 | J/mol×K | 356.96 | Joback Calculated Property |
| Cp,gas | 163.74 | J/mol×K | 387.54 | Joback Calculated Property |
| Cp,gas | 173.85 | J/mol×K | 418.13 | Joback Calculated Property |
| Cp,gas | 183.43 | J/mol×K | 448.71 | Joback Calculated Property |
| Cp,gas | 192.47 | J/mol×K | 479.30 | Joback Calculated Property |
| Cp,gas | 201.03 | J/mol×K | 509.88 | Joback Calculated Property |
| Cp,gas | 209.12 | J/mol×K | 540.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Hexatriene, 3-methyl-, (E)-.
Sources
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