- InChI
- InChI=1S/C42H86/c1-7-9-11-13-14-15-16-17-18-19-20-21-23-26-32-40(4)36-30-38-42(6)34-28-24-27-33-41(5)37-29-35-39(3)31-25-22-12-10-8-2/h39-42H,7-38H2,1-6H3
- InChI Key
- RKPVTEUKLWVZTC-UHFFFAOYSA-N
- Formula
- C42H86
- SMILES
-
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCC
CCC(C)CCCC(C)CCCCCCC - Molecular Weight1
- 591.15
- 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 | 1.4597 | Relay (1.0) Calculated Property | |
| ΔfG° | 293.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 90.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 187.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 16.054 | Crippen Calculated Property | |
| McVol | 602.640 | ml/mol | McGowan Calculated Property |
| Pc | 367.28 | kPa | Joback Calculated Property |
| Inp | 3906.00 | NIST | |
| Tboil | 719.06 | K | Relay (1.0) Calculated Property |
| Tc | 886.43 | K | Relay (1.0) Calculated Property |
| Tfus | 270.53 | K | Relay (1.0) Calculated Property |
| Vc | 2.316 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.20; 2188.30] | 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 | -4.20180e+01 | |||
| Coefficient B | 4.01752e+00 | |||
| Coefficient C | -2.27380e-03 | |||
| Coefficient D | 4.86600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 895.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1116.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1314.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1491.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1647.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1786.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1908.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2014.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2107.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2188.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003438; 0.0000030] | Pa×s | [503.10; 1092.40] |
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 | -1.67539e+01 | |||
| Coefficient B | 4.41644e+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. | 503.10 | |||
| Temperature range, max. | 1092.40 | |||
| η | 0.0003438 | Pa×s | 503.10 | Calculated Property |
| η | 0.0001251 | Pa×s | 568.58 | Calculated Property |
| η | 0.0000561 | Pa×s | 634.06 | Calculated Property |
| η | 0.0000292 | Pa×s | 699.53 | Calculated Property |
| η | 0.0000170 | Pa×s | 765.01 | Calculated Property |
| η | 0.0000108 | Pa×s | 830.49 | Calculated Property |
| η | 0.0000073 | Pa×s | 895.97 | Calculated Property |
| η | 0.0000052 | Pa×s | 961.44 | Calculated Property |
| η | 0.0000039 | Pa×s | 1026.92 | Calculated Property |
| η | 0.0000030 | Pa×s | 1092.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 8,12,18,22-tetramethyloctatriacontane.
Sources
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