- InChI
- InChI=1S/C42H86/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-42(3)40-38-36-34-32-30-28-19-17-15-13-11-9-7-5-2/h42H,4-41H2,1-3H3
- InChI Key
- OFEYEAGOUWREKT-UHFFFAOYSA-N
- Formula
- C42H86
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCC(C)CC
CCCCCCCCCCCCCC - 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 | 1.5871 | Relay (1.0) Calculated Property | |
| ΔfG° | 300.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -919.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 101.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 205.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 16.486 | Crippen Calculated Property | |
| McVol | 602.640 | ml/mol | McGowan Calculated Property |
| Pc | 363.92 | kPa | Joback Calculated Property |
| Inp | 4113.00 | NIST | |
| Tboil | 713.31 | K | Relay (1.0) Calculated Property |
| Tc | 880.27 | K | Relay (1.0) Calculated Property |
| Tfus | 318.77 | K | Relay (1.0) Calculated Property |
| Vc | 2.364 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.15; 2186.69] | 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 | -3.69720e+01 | |||
| Coefficient B | 3.99976e+00 | |||
| Coefficient C | -2.26420e-03 | |||
| Coefficient D | 4.88100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 896.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1116.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1313.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1489.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1646.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1784.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1906.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2012.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2105.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2186.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002032; 0.0000038] | Pa×s | [548.10; 1112.24] |
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 | -1.63519e+01 | |||
| Coefficient B | 4.30298e+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. | 548.10 | |||
| Temperature range, max. | 1112.24 | |||
| η | 0.0002032 | Pa×s | 548.10 | Calculated Property |
| η | 0.0000908 | Pa×s | 610.78 | Calculated Property |
| η | 0.0000471 | Pa×s | 673.46 | Calculated Property |
| η | 0.0000274 | Pa×s | 736.15 | Calculated Property |
| η | 0.0000173 | Pa×s | 798.83 | Calculated Property |
| η | 0.0000117 | Pa×s | 861.51 | Calculated Property |
| η | 0.0000083 | Pa×s | 924.19 | Calculated Property |
| η | 0.0000062 | Pa×s | 986.87 | Calculated Property |
| η | 0.0000048 | Pa×s | 1049.56 | Calculated Property |
| η | 0.0000038 | Pa×s | 1112.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 17-methylhentetracontane.
Sources
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