- InChI
- InChI=1S/C40H82/c1-5-7-9-11-13-15-17-20-24-28-32-36-40(4)38-34-30-26-22-18-21-25-29-33-37-39(3)35-31-27-23-19-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3
- InChI Key
- FZBNBHZBRITXDD-UHFFFAOYSA-N
- Formula
- C40H82
- SMILES
-
CCCCCCCCCCCCCC(C)CCCCCCCCCCCC(
C)CCCCCCCCCCCC - Molecular Weight1
- 563.08
- 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 | 1.4739 | Relay (1.0) Calculated Property | |
| ΔfG° | 281.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -903.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 92.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 190.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.562 | Crippen Calculated Property | |
| McVol | 574.460 | ml/mol | McGowan Calculated Property |
| Pc | 393.36 | kPa | Joback Calculated Property |
| Inp | [3854.00; 3854.00] |
|
|
| Inp | 3854.00 | NIST | |
| Inp | 3854.00 | NIST | |
| Tboil | 702.69 | K | Relay (1.0) Calculated Property |
| Tc | 871.83 | K | Relay (1.0) Calculated Property |
| Tfus | 302.50 | K | Relay (1.0) Calculated Property |
| Vc | 2.240 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.40; 2084.04] | 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 | -3.68360e+01 | |||
| Coefficient B | 3.81568e+00 | |||
| Coefficient C | -2.15860e-03 | |||
| Coefficient D | 4.63800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 853.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1063.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1251.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1419.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1568.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1700.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1816.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1918.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2006.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2084.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003343; 0.0000055] | Pa×s | [510.56; 1033.24] |
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 | -1.61365e+01 | |||
| Coefficient B | 4.15248e+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. | 510.56 | |||
| Temperature range, max. | 1033.24 | |||
| η | 0.0003343 | Pa×s | 510.56 | Calculated Property |
| η | 0.0001457 | Pa×s | 568.64 | Calculated Property |
| η | 0.0000741 | Pa×s | 626.71 | Calculated Property |
| η | 0.0000422 | Pa×s | 684.79 | Calculated Property |
| η | 0.0000263 | Pa×s | 742.86 | Calculated Property |
| η | 0.0000175 | Pa×s | 800.94 | Calculated Property |
| η | 0.0000123 | Pa×s | 859.02 | Calculated Property |
| η | 0.0000091 | Pa×s | 917.09 | Calculated Property |
| η | 0.0000069 | Pa×s | 975.17 | Calculated Property |
| η | 0.0000055 | Pa×s | 1033.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 13,25-Dimethyloctatriacontane.
Sources
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