- InChI
- InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H,1,4,6H2,2H3/b7-5+
- InChI Key
- OGQVROWWFUXRST-FNORWQNLSA-N
- Formula
- C7H12
- SMILES
- C=CC=CCCC
- Molecular Weight1
- 96.17
- CAS
- 2384-92-1
- Other Names
-
- 1,3-heptadiene, trans
- (E)-1,3-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).
- 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).
- 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° | 176.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 54.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.46 | kJ/mol | Joback Calculated Property |
| IE | [8.47; 8.48] | eV |
|
| IE | 8.47 | eV | NIST |
| IE | 8.48 | eV | NIST |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Inp | [708.80; 713.10] |
|
|
| Inp | 713.10 | NIST | |
| Inp | 708.80 | NIST | |
| Tboil | 360.40 | K | Joback Calculated Property |
| Tc | 536.35 | K | Joback Calculated Property |
| Tfus | 161.81 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.57; 225.80] | J/mol×K | [360.40; 536.35] |
|
| Cp,gas | 166.57 | J/mol×K | 360.40 | Joback Calculated Property |
| Cp,gas | 177.68 | J/mol×K | 389.72 | Joback Calculated Property |
| Cp,gas | 188.27 | J/mol×K | 419.05 | Joback Calculated Property |
| Cp,gas | 198.35 | J/mol×K | 448.37 | Joback Calculated Property |
| Cp,gas | 207.96 | J/mol×K | 477.70 | Joback Calculated Property |
| Cp,gas | 217.10 | J/mol×K | 507.02 | Joback Calculated Property |
| Cp,gas | 225.80 | J/mol×K | 536.35 | Joback Calculated Property |
| η | [0.0001889; 0.0037899] | Pa×s | [161.81; 360.40] |
|
| η | 0.0037899 | Pa×s | 161.81 | Joback Calculated Property |
| η | 0.0015040 | Pa×s | 194.91 | Joback Calculated Property |
| η | 0.0007806 | Pa×s | 228.01 | Joback Calculated Property |
| η | 0.0004784 | Pa×s | 261.11 | Joback Calculated Property |
| η | 0.0003273 | Pa×s | 294.20 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 327.30 | Joback Calculated Property |
| η | 0.0001889 | Pa×s | 360.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,trans-3-heptadiene.
Sources
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