- InChI
- InChI=1S/C31H64/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30(4)26-24-27-31(5)28-29(2)3/h29-31H,6-28H2,1-5H3
- InChI Key
- IGPUWVREMUWCLK-UHFFFAOYSA-N
- Formula
- C31H64
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(C)CCCC(C
)CC(C)C - Molecular Weight1
- 436.84
- 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 | 1.1353 | Relay (1.0) Calculated Property | |
| ΔfG° | 202.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.907 | Crippen Calculated Property | |
| McVol | 447.650 | ml/mol | McGowan Calculated Property |
| Pc | 575.08 | kPa | Joback Calculated Property |
| Inp | 2918.00 | NIST | |
| Tboil | 648.02 | K | Relay (1.0) Calculated Property |
| Tc | 822.78 | K | Relay (1.0) Calculated Property |
| Tfus | 275.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.736 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.16; 1620.26] | 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 | -3.03370e+01 | |||
| Coefficient B | 2.96660e+00 | |||
| Coefficient C | -1.67220e-03 | |||
| Coefficient D | 3.56200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 662.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 825.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 972.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1103.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1219.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1322.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1412.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1491.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1560.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1620.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019270; 0.0000286] | Pa×s | [394.13; 782.73] |
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 | -1.47334e+01 | |||
| Coefficient B | 3.34286e+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. | 394.13 | |||
| Temperature range, max. | 782.73 | |||
| η | 0.0019270 | Pa×s | 394.13 | Calculated Property |
| η | 0.0008340 | Pa×s | 437.31 | Calculated Property |
| η | 0.0004196 | Pa×s | 480.49 | Calculated Property |
| η | 0.0002364 | Pa×s | 523.66 | Calculated Property |
| η | 0.0001454 | Pa×s | 566.84 | Calculated Property |
| η | 0.0000958 | Pa×s | 610.02 | Calculated Property |
| η | 0.0000667 | Pa×s | 653.20 | Calculated Property |
| η | 0.0000485 | Pa×s | 696.37 | Calculated Property |
| η | 0.0000367 | Pa×s | 739.55 | Calculated Property |
| η | 0.0000286 | Pa×s | 782.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,8-Trimethyloctacosane.
Sources
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