- InChI
- InChI=1S/C54H110/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-38-42-48-53(4)50-45-51-54(5)49-44-40-36-39-43-47-52(3)46-41-37-34-32-17-15-13-11-9-7-2/h52-54H,6-51H2,1-5H3
- InChI Key
- LRQDCTLDSBYWMV-UHFFFAOYSA-N
- Formula
- C54H110
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)
CCCC(C)CCCCCCCC(C)CCCCCCCCCCCC - Molecular Weight1
- 759.45
- 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 | 1.9222 | Relay (1.0) Calculated Property | |
| ΔfG° | 396.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1210.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 125.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 249.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -17.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 20.879 | Crippen Calculated Property | |
| McVol | 771.720 | ml/mol | McGowan Calculated Property |
| Pc | 245.83 | kPa | Joback Calculated Property |
| Inp | [5164.00; 5164.00] |
|
|
| Inp | 5164.00 | NIST | |
| Inp | 5164.00 | NIST | |
| Inp | 5164.00 | NIST | |
| Tboil | 791.15 | K | Relay (1.0) Calculated Property |
| Tc | 944.81 | K | Relay (1.0) Calculated Property |
| Tfus | 305.72 | K | Relay (1.0) Calculated Property |
| Vc | 2.979 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1150.08; 2806.86] | 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 | -5.12440e+01 | |||
| Coefficient B | 5.15160e+00 | |||
| Coefficient C | -2.92340e-03 | |||
| Coefficient D | 6.29900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 1150.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1433.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1687.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1913.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 2114.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 2291.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2447.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2584.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2703.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2806.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0000328; 0.0000002] | Pa×s | [653.34; 1791.73] |
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 | -1.87574e+01 | |||
| Coefficient B | 5.50854e+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. | 653.34 | |||
| Temperature range, max. | 1791.73 | |||
| η | 0.0000328 | Pa×s | 653.34 | Calculated Property |
| η | 0.0000083 | Pa×s | 779.83 | Calculated Property |
| η | 0.0000031 | Pa×s | 906.32 | Calculated Property |
| η | 0.0000015 | Pa×s | 1032.80 | Calculated Property |
| η | 0.0000008 | Pa×s | 1159.29 | Calculated Property |
| η | 0.0000005 | Pa×s | 1285.78 | Calculated Property |
| η | 0.0000004 | Pa×s | 1412.27 | Calculated Property |
| η | 0.0000003 | Pa×s | 1538.75 | Calculated Property |
| η | 0.0000002 | Pa×s | 1665.24 | Calculated Property |
| η | 0.0000002 | Pa×s | 1791.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 13,21,25-trimethylhenpentacontane.
Sources
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