- InChI
- InChI=1S/C28H58/c1-6-8-10-11-12-13-14-15-16-17-21-27(4)23-19-25-28(5)24-18-22-26(3)20-9-7-2/h26-28H,6-25H2,1-5H3
- InChI Key
- BQAYZLGGCABOEF-UHFFFAOYSA-N
- Formula
- C28H58
- SMILES
-
CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)
CCCC - Molecular Weight1
- 394.76
- 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).
- Inp : Non-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 | 1.0147 | Relay (1.0) Calculated Property | |
| ΔfG° | 177.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.736 | Crippen Calculated Property | |
| McVol | 405.380 | ml/mol | McGowan Calculated Property |
| Pc | 663.57 | kPa | Joback Calculated Property |
| Inp | [2610.00; 2610.00] |
|
|
| Inp | 2610.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Tboil | 629.28 | K | Relay (1.0) Calculated Property |
| Tc | 804.44 | K | Relay (1.0) Calculated Property |
| Tfus | 251.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.569 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.52; 1465.49] | 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 | -2.76100e+01 | |||
| Coefficient B | 2.68160e+00 | |||
| Coefficient C | -1.50900e-03 | |||
| Coefficient D | 3.20500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 598.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 746.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 879.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 997.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1102.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1195.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1277.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1348.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1411.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1465.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032013; 0.0000462] | Pa×s | [360.32; 719.15] |
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 | -1.42377e+01 | |||
| Coefficient B | 3.06038e+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. | 360.32 | |||
| Temperature range, max. | 719.15 | |||
| η | 0.0032013 | Pa×s | 360.32 | Calculated Property |
| η | 0.0013735 | Pa×s | 400.19 | Calculated Property |
| η | 0.0006870 | Pa×s | 440.06 | Calculated Property |
| η | 0.0003855 | Pa×s | 479.93 | Calculated Property |
| η | 0.0002364 | Pa×s | 519.80 | Calculated Property |
| η | 0.0001554 | Pa×s | 559.67 | Calculated Property |
| η | 0.0001080 | Pa×s | 599.54 | Calculated Property |
| η | 0.0000786 | Pa×s | 639.41 | Calculated Property |
| η | 0.0000593 | Pa×s | 679.28 | Calculated Property |
| η | 0.0000462 | Pa×s | 719.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 5,9,13-Trimethylpentacosane.
Sources
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