- InChI
- InChI=1S/C25H48/c1-18(2)11-20(5)13-22(7)15-24(9)17-25(10)16-23(8)14-21(6)12-19(3)4/h20-25H,1,3,11-17H2,2,4-10H3
- InChI Key
- XVXIZOUSLNITMZ-UHFFFAOYSA-N
- Formula
- C25H48
- SMILES
-
C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C
)CC(C)CC(=C)C - Molecular Weight1
- 348.66
- 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° | 34.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 8.686 | Crippen Calculated Property | |
| McVol | 354.510 | ml/mol | McGowan Calculated Property |
| Inp | 2049.00 | NIST | |
| Tboil | 619.57 | K | Relay (1.0) Calculated Property |
| Tfus | 232.51 | 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 | [514.63; 1254.77] | 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 | -3.52930e+01 | |||
| Coefficient B | 2.37416e+00 | |||
| Coefficient C | -1.40580e-03 | |||
| Coefficient D | 3.21700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 514.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 642.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 757.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 858.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 948.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1027.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1096.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1156.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1209.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1254.77 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,16-Heptadiene, 2,4,6,8,10,12,14-octamethyl.
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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