- InChI
- InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6-
- InChI Key
- XTJLXXCARCJVPJ-WZWXSLMZSA-N
- Formula
- C7H12
- SMILES
- CC=CC=CCC
- Molecular Weight1
- 96.17
- Other Names
-
- trans-2,cis-4-heptadiene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 168.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 46.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Inp | [740.70; 745.40] |
|
|
| Inp | 745.40 | NIST | |
| Inp | 740.70 | NIST | |
| Tboil | 367.88 | K | Joback Calculated Property |
| Tc | 549.48 | K | Joback Calculated Property |
| Tfus | 158.49 | K | Joback Calculated Property |
| Vc | 0.388 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.24; 226.95] | J/mol×K | [367.88; 549.48] |
|
| Cp,gas | 166.24 | J/mol×K | 367.88 | Joback Calculated Property |
| Cp,gas | 177.76 | J/mol×K | 398.15 | Joback Calculated Property |
| Cp,gas | 188.68 | J/mol×K | 428.41 | Joback Calculated Property |
| Cp,gas | 199.03 | J/mol×K | 458.68 | Joback Calculated Property |
| Cp,gas | 208.84 | J/mol×K | 488.95 | Joback Calculated Property |
| Cp,gas | 218.14 | J/mol×K | 519.21 | Joback Calculated Property |
| Cp,gas | 226.95 | J/mol×K | 549.48 | Joback Calculated Property |
| η | [0.0001609; 0.0044130] | Pa×s | [158.49; 367.88] |
|
| η | 0.0044130 | Pa×s | 158.49 | Joback Calculated Property |
| η | 0.0015445 | Pa×s | 193.39 | Joback Calculated Property |
| η | 0.0007452 | Pa×s | 228.29 | Joback Calculated Property |
| η | 0.0004362 | Pa×s | 263.19 | Joback Calculated Property |
| η | 0.0002894 | Pa×s | 298.08 | Joback Calculated Property |
| η | 0.0002093 | Pa×s | 332.98 | Joback Calculated Property |
| η | 0.0001609 | Pa×s | 367.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Heptadiene, (E,Z).
Sources
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