- InChI
- InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/b8-6+
- InChI Key
- AHWGKLXMXHPYBI-SOFGYWHQSA-N
- Formula
- C8H14
- SMILES
- C=CC=C(C)CCC
- Molecular Weight1
- 110.20
- CAS
- 40095-05-4
- Other Names
-
- (E)-1,3-Heptadiene, 4-methyl-
- 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° | 175.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 24.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.77 | kJ/mol | Joback Calculated Property |
| IE | 8.02 | eV | NIST |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Tboil | 383.16 | K | Joback Calculated Property |
| Tc | 562.15 | K | Joback Calculated Property |
| Tfus | 159.12 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.46; 270.39] | J/mol×K | [383.16; 562.15] | 
|
| Cp,gas | 203.46 | J/mol×K | 383.16 | Joback Calculated Property |
| Cp,gas | 216.02 | J/mol×K | 412.99 | Joback Calculated Property |
| Cp,gas | 227.98 | J/mol×K | 442.82 | Joback Calculated Property |
| Cp,gas | 239.38 | J/mol×K | 472.65 | Joback Calculated Property |
| Cp,gas | 250.23 | J/mol×K | 502.48 | Joback Calculated Property |
| Cp,gas | 260.56 | J/mol×K | 532.31 | Joback Calculated Property |
| Cp,gas | 270.39 | J/mol×K | 562.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-1,3-heptadiene, trans.
Sources
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