- InChI
- InChI=1S/C53H108/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-37-41-45-49-53(4)51-47-43-39-35-38-42-46-50-52(3)48-44-40-36-33-16-14-12-10-8-6-2/h52-53H,5-51H2,1-4H3
- InChI Key
- BQJVDIBWQPQUKE-UHFFFAOYSA-N
- Formula
- C53H108
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(
C)CCCCCCCCCC(C)CCCCCCCCCCCC - Molecular Weight1
- 745.42
- 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 | 1.9291 | Relay (1.0) Calculated Property | |
| ΔfG° | 390.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1169.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 125.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 250.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -17.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 20.633 | Crippen Calculated Property | |
| McVol | 757.630 | ml/mol | McGowan Calculated Property |
| Pc | 252.75 | kPa | Joback Calculated Property |
| Inp | [5144.00; 5144.00] |
|
|
| Inp | 5144.00 | NIST | |
| Inp | 5144.00 | NIST | |
| Inp | 5144.00 | NIST | |
| Inp | 5144.00 | NIST | |
| Tboil | 782.94 | K | Relay (1.0) Calculated Property |
| Tc | 937.94 | K | Relay (1.0) Calculated Property |
| Tfus | 321.58 | K | Relay (1.0) Calculated Property |
| Vc | 2.941 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1129.18; 2754.73] | 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 | -4.86530e+01 | |||
| Coefficient B | 5.05068e+00 | |||
| Coefficient C | -2.86580e-03 | |||
| Coefficient D | 6.18500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 1129.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1406.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1655.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1877.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 2074.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 2248.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2401.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2535.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2652.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2754.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0000350; 0.0000002] | Pa×s | [657.07; 1727.85] |
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 | -1.84430e+01 | |||
| Coefficient B | 5.37656e+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. | 657.07 | |||
| Temperature range, max. | 1727.85 | |||
| η | 0.0000350 | Pa×s | 657.07 | Calculated Property |
| η | 0.0000100 | Pa×s | 776.05 | Calculated Property |
| η | 0.0000040 | Pa×s | 895.02 | Calculated Property |
| η | 0.0000020 | Pa×s | 1014.00 | Calculated Property |
| η | 0.0000011 | Pa×s | 1132.97 | Calculated Property |
| η | 0.0000007 | Pa×s | 1251.95 | Calculated Property |
| η | 0.0000005 | Pa×s | 1370.92 | Calculated Property |
| η | 0.0000004 | Pa×s | 1489.90 | Calculated Property |
| η | 0.0000003 | Pa×s | 1608.87 | Calculated Property |
| η | 0.0000002 | Pa×s | 1727.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 13,23-Dimethylhenpentacontane.
Sources
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