- InChI
- InChI=1S/C15H28/c1-7-8-13(4)10-15(6)11-14(5)9-12(2)3/h7,13-15H,1-2,8-11H2,3-6H3
- InChI Key
- DGCZFTURLLFENG-UHFFFAOYSA-N
- Formula
- C15H28
- SMILES
- C=CCC(C)CC(C)CC(C)CC(=C)C
- Molecular Weight1
- 208.38
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 20.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.217 | Crippen Calculated Property | |
| McVol | 213.610 | ml/mol | McGowan Calculated Property |
| Inp | 1320.00 | NIST | |
| Tboil | 510.82 | K | Relay (1.0) Calculated Property |
| Tfus | 206.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.28; 737.51] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.14660e+01 | |||
| Coefficient B | 1.40648e+00 | |||
| Coefficient C | -8.49900e-04 | |||
| Coefficient D | 2.02400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 378.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 445.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 505.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 557.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 603.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 644.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 679.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 710.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 737.51 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to heterotactic-2,4,6,8-Tetramethyl-1-undecene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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