- InChI
- InChI=1S/C21H44/c1-5-7-16-20(3)18-14-12-10-9-11-13-15-19-21(4)17-8-6-2/h20-21H,5-19H2,1-4H3
- InChI Key
- MWLAAYVJDLLYOA-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCCCC(C)CCCCCCCCCC(C)CCCC
- Molecular Weight1
- 296.57
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ω | 0.8126 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.150 | Crippen Calculated Property | |
| McVol | 306.750 | ml/mol | McGowan Calculated Property |
| Pc | 965.67 | kPa | Joback Calculated Property |
| Tboil | 582.02 | K | Relay (1.0) Calculated Property |
| Tc | 748.65 | K | Relay (1.0) Calculated Property |
| Tfus | 252.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.193 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.34; 1103.81] | 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 | -1.95650e+01 | |||
| Coefficient B | 2.01068e+00 | |||
| Coefficient C | -1.12500e-03 | |||
| Coefficient D | 2.37700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 450.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 561.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 661.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 750.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 829.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 899.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 961.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1015.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1062.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1103.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0065804; 0.0001239] | Pa×s | [296.43; 590.79] |
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 | -1.29967e+01 | |||
| Coefficient B | 2.36344e+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. | 296.43 | |||
| Temperature range, max. | 590.79 | |||
| η | 0.0065804 | Pa×s | 296.43 | Calculated Property |
| η | 0.0029796 | Pa×s | 329.14 | Calculated Property |
| η | 0.0015570 | Pa×s | 361.84 | Calculated Property |
| η | 0.0009060 | Pa×s | 394.55 | Calculated Property |
| η | 0.0005728 | Pa×s | 427.26 | Calculated Property |
| η | 0.0003865 | Pa×s | 459.96 | Calculated Property |
| η | 0.0002748 | Pa×s | 492.67 | Calculated Property |
| η | 0.0002039 | Pa×s | 525.38 | Calculated Property |
| η | 0.0001566 | Pa×s | 558.09 | Calculated Property |
| η | 0.0001239 | Pa×s | 590.79 | Calculated Property |
Similar Compounds
Find more compounds similar to 5,15-Dimethylnonadecane.
Sources
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