- InChI
- InChI=1S/C42H86/c1-6-8-10-12-14-16-18-19-21-23-26-30-36-41(4)38-33-39-42(5)37-32-28-24-27-31-35-40(3)34-29-25-22-20-17-15-13-11-9-7-2/h40-42H,6-39H2,1-5H3
- InChI Key
- NOGRSPRNENYZMU-UHFFFAOYSA-N
- Formula
- C42H86
- SMILES
-
CCCCCCCCCCCCCCC(C)CCCC(C)CCCCC
CCC(C)CCCCCCCCCCCC - Molecular Weight1
- 591.13
- 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 | 1.5017 | Relay (1.0) Calculated Property | |
| ΔfG° | 295.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -965.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 93.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 193.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 16.198 | Crippen Calculated Property | |
| McVol | 602.640 | ml/mol | McGowan Calculated Property |
| Pc | 366.15 | kPa | Joback Calculated Property |
| Inp | [3980.00; 3980.00] |
|
|
| Inp | 3980.00 | NIST | |
| Inp | 3980.00 | NIST | |
| Inp | 3980.00 | NIST | |
| Tboil | 716.98 | K | Relay (1.0) Calculated Property |
| Tc | 884.52 | K | Relay (1.0) Calculated Property |
| Tfus | 287.29 | K | Relay (1.0) Calculated Property |
| Vc | 2.332 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.52; 2187.76] | 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 | -4.03360e+01 | |||
| Coefficient B | 4.01160e+00 | |||
| Coefficient C | -2.27060e-03 | |||
| Coefficient D | 4.87100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 895.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1116.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1314.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1490.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1647.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1785.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1907.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2014.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2106.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2187.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002834; 0.0000033] | Pa×s | [518.10; 1098.78] |
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 | -1.66199e+01 | |||
| Coefficient B | 4.37862e+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. | 518.10 | |||
| Temperature range, max. | 1098.78 | |||
| η | 0.0002834 | Pa×s | 518.10 | Calculated Property |
| η | 0.0001112 | Pa×s | 582.62 | Calculated Property |
| η | 0.0000525 | Pa×s | 647.14 | Calculated Property |
| η | 0.0000285 | Pa×s | 711.66 | Calculated Property |
| η | 0.0000171 | Pa×s | 776.18 | Calculated Property |
| η | 0.0000111 | Pa×s | 840.70 | Calculated Property |
| η | 0.0000076 | Pa×s | 905.22 | Calculated Property |
| η | 0.0000055 | Pa×s | 969.74 | Calculated Property |
| η | 0.0000042 | Pa×s | 1034.26 | Calculated Property |
| η | 0.0000033 | Pa×s | 1098.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 13,21,25-trimethyl-nonatriacontane.
Sources
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