- InChI
- InChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3
- InChI Key
- XQNRAQZFPXUCOT-UHFFFAOYSA-N
- Formula
- C20H40
- SMILES
- C=CC(C)CCCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 280.53
- Other Names
-
- phyt-1-ene
- 3,7,11,15-Tetramethyl-1-hexadecene (1-phytene)
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.6709 | Relay (1.0) Calculated Property | |
| ΔfusH° | 32.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.248 | Crippen Calculated Property | |
| McVol | 288.360 | ml/mol | McGowan Calculated Property |
| Pc | 1065.18 | kPa | Joback Calculated Property |
| Inp | [1776.00; 1833.00] |
|
|
| Inp | 1790.00 | NIST | |
| Inp | Outlier 1833.00 | NIST | |
| Inp | 1785.00 | NIST | |
| Inp | 1791.00 | NIST | |
| Inp | 1785.00 | NIST | |
| Inp | Outlier 1833.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Inp | 1781.00 | NIST | |
| Inp | 1790.00 | NIST | |
| Inp | 1785.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1795.00 | NIST | |
| Inp | 1785.00 | NIST | |
| Ip | 1850.00 | NIST | |
| Tboil | 582.85 | K | Relay (1.0) Calculated Property |
| Tc | 724.43 | K | Relay (1.0) Calculated Property |
| Tfus | 226.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.067 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [418.69; 1024.79] | 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 | -2.50110e+01 | |||
| Coefficient B | 1.90750e+00 | |||
| Coefficient C | -1.09990e-03 | |||
| Coefficient D | 2.42200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 418.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 522.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 616.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 699.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 772.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 837.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 894.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 943.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 987.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1024.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0185442; 0.0001209] | Pa×s | [253.40; 575.15] |
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 | -1.29843e+01 | |||
| Coefficient B | 2.27976e+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. | 253.40 | |||
| Temperature range, max. | 575.15 | |||
| η | 0.0185442 | Pa×s | 253.40 | Calculated Property |
| η | 0.0060971 | Pa×s | 289.15 | Calculated Property |
| η | 0.0025606 | Pa×s | 324.90 | Calculated Property |
| η | 0.0012772 | Pa×s | 360.65 | Calculated Property |
| η | 0.0007222 | Pa×s | 396.40 | Calculated Property |
| η | 0.0004488 | Pa×s | 432.15 | Calculated Property |
| η | 0.0002999 | Pa×s | 467.90 | Calculated Property |
| η | 0.0002122 | Pa×s | 503.65 | Calculated Property |
| η | 0.0001572 | Pa×s | 539.40 | Calculated Property |
| η | 0.0001209 | Pa×s | 575.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phytene.
Sources
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