- InChI
- InChI=1S/C41H84/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-25-29-33-39(3)34-30-26-23-27-31-36-41(5)38-32-37-40(4)35-28-24-11-9-7-2/h39-41H,6-38H2,1-5H3
- InChI Key
- BWBDQDJRJNYZFZ-UHFFFAOYSA-N
- Formula
- C41H84
- SMILES
-
CCCCCCCCCCCCCCCCCCC(C)CCCCCCCC
(C)CCCC(C)CCCCCCC - Molecular Weight1
- 577.11
- 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 | 1.4666 | Relay (1.0) Calculated Property | |
| ΔfG° | 287.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 91.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 188.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.808 | Crippen Calculated Property | |
| McVol | 588.550 | ml/mol | McGowan Calculated Property |
| Pc | 379.98 | kPa | Joback Calculated Property |
| Inp | [3874.00; 3874.00] |
|
|
| Inp | 3874.00 | NIST | |
| Inp | 3874.00 | NIST | |
| Tboil | 710.78 | K | Relay (1.0) Calculated Property |
| Tc | 879.24 | K | Relay (1.0) Calculated Property |
| Tfus | 285.56 | K | Relay (1.0) Calculated Property |
| Vc | 2.278 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [874.30; 2136.17] | 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 | -3.94270e+01 | |||
| Coefficient B | 3.91660e+00 | |||
| Coefficient C | -2.21620e-03 | |||
| Coefficient D | 4.75200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 874.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1089.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1283.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1455.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1608.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1743.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1862.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1966.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2057.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2136.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003383; 0.0000041] | Pa×s | [506.83; 1062.39] |
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 | -1.64449e+01 | |||
| Coefficient B | 4.28446e+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. | 506.83 | |||
| Temperature range, max. | 1062.39 | |||
| η | 0.0003383 | Pa×s | 506.83 | Calculated Property |
| η | 0.0001351 | Pa×s | 568.56 | Calculated Property |
| η | 0.0000646 | Pa×s | 630.29 | Calculated Property |
| η | 0.0000352 | Pa×s | 692.02 | Calculated Property |
| η | 0.0000212 | Pa×s | 753.75 | Calculated Property |
| η | 0.0000138 | Pa×s | 815.48 | Calculated Property |
| η | 0.0000095 | Pa×s | 877.20 | Calculated Property |
| η | 0.0000069 | Pa×s | 938.93 | Calculated Property |
| η | 0.0000052 | Pa×s | 1000.66 | Calculated Property |
| η | 0.0000041 | Pa×s | 1062.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 8,12,20-trimethyloctatriacontane.
Sources
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