- InChI
- InChI=1S/C21H42/c1-9-10-17(4)12-19(6)14-21(8)15-20(7)13-18(5)11-16(2)3/h9-10,16-21H,11-15H2,1-8H3
- InChI Key
- YCPVIGVHWTUUKC-UHFFFAOYSA-N
- Formula
- C21H42
- SMILES
-
CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC
(C)C - Molecular Weight1
- 294.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 29.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.350 | Crippen Calculated Property | |
| McVol | 302.450 | ml/mol | McGowan Calculated Property |
| Inp | [1728.00; 1728.00] |
|
|
| Inp | 1728.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Tboil | 569.86 | K | Relay (1.0) Calculated Property |
| Tfus | 218.68 | 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 | [435.08; 1075.39] | 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 | -4.04750e+01 | |||
| Coefficient B | 2.05436e+00 | |||
| Coefficient C | -1.22160e-03 | |||
| Coefficient D | 2.83100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 435.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 545.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 644.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 732.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 810.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 878.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 937.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 990.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1035.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1075.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0573587; 0.0000764] | Pa×s | [231.35; 600.90] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.36255e+01 | |||
| Coefficient B | 2.49096e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 231.35 | |||
| Temperature range, max. | 600.90 | |||
| η | 0.0573587 | Pa×s | 231.35 | Calculated Property |
| η | 0.0113177 | Pa×s | 272.41 | Calculated Property |
| η | 0.0034164 | Pa×s | 313.47 | Calculated Property |
| η | 0.0013611 | Pa×s | 354.53 | Calculated Property |
| η | 0.0006564 | Pa×s | 395.60 | Calculated Property |
| η | 0.0003631 | Pa×s | 436.66 | Calculated Property |
| η | 0.0002224 | Pa×s | 477.72 | Calculated Property |
| η | 0.0001472 | Pa×s | 518.78 | Calculated Property |
| η | 0.0001035 | Pa×s | 559.84 | Calculated Property |
| η | 0.0000764 | Pa×s | 600.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentadecene, 4,6,8,10,12,14-hexamethyl.
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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