- InChI
- InChI=1S/C44H90/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-34-42(4)36-31-38-44(6)40-32-39-43(5)37-30-35-41(3)33-28-10-8-2/h41-44H,7-40H2,1-6H3
- InChI Key
- ZMEPYDSNKFTKOS-UHFFFAOYSA-N
- Formula
- C44H90
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCC(C)CCCC
(C)CCCC(C)CCCC(C)CCCCC - Molecular Weight1
- 619.20
- 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 | 1.5301 | Relay (1.0) Calculated Property | |
| ΔfG° | 309.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1033.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 95.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 197.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 16.834 | Crippen Calculated Property | |
| McVol | 630.820 | ml/mol | McGowan Calculated Property |
| Pc | 341.67 | kPa | Joback Calculated Property |
| Inp | [4104.00; 4104.00] |
|
|
| Inp | 4104.00 | NIST | |
| Inp | 4104.00 | NIST | |
| Tboil | 731.41 | K | Relay (1.0) Calculated Property |
| Tc | 897.07 | K | Relay (1.0) Calculated Property |
| Tfus | 272.65 | K | Relay (1.0) Calculated Property |
| Vc | 2.425 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.63; 2291.48] | 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 | -4.38360e+01 | |||
| Coefficient B | 4.20752e+00 | |||
| Coefficient C | -2.38260e-03 | |||
| Coefficient D | 5.10400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 937.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1169.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1376.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1561.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1725.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1870.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1998.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2109.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2207.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2291.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002375; 0.0000019] | Pa×s | [525.64; 1170.25] |
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 | -1.71056e+01 | |||
| Coefficient B | 4.60476e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 525.64 | |||
| Temperature range, max. | 1170.25 | |||
| η | 0.0002375 | Pa×s | 525.64 | Calculated Property |
| η | 0.0000831 | Pa×s | 597.26 | Calculated Property |
| η | 0.0000364 | Pa×s | 668.89 | Calculated Property |
| η | 0.0000187 | Pa×s | 740.51 | Calculated Property |
| η | 0.0000108 | Pa×s | 812.14 | Calculated Property |
| η | 0.0000068 | Pa×s | 883.76 | Calculated Property |
| η | 0.0000046 | Pa×s | 955.38 | Calculated Property |
| η | 0.0000033 | Pa×s | 1027.01 | Calculated Property |
| η | 0.0000025 | Pa×s | 1098.63 | Calculated Property |
| η | 0.0000019 | Pa×s | 1170.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,10,14,18-tetramethyltetracontane.
Sources
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