- InChI
- InChI=1S/C66H134/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-66H2,1-2H3
- InChI Key
- GCGLVJDTQORHQD-UHFFFAOYSA-N
- Formula
- C66H134
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCC - Molecular Weight1
- 927.80
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 2.4806 | Relay (1.0) Calculated Property | |
| ΔfG° | 504.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1405.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 166.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 324.00 ± 1.00 | kJ/mol | NIST |
| IE | 11.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -21.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 25.993 | Crippen Calculated Property | |
| McVol | 940.800 | ml/mol | McGowan Calculated Property |
| Pc | 175.25 | kPa | Joback Calculated Property |
| Tboil | 857.53 | K | Relay (1.0) Calculated Property |
| Tc | 990.78 | K | Relay (1.0) Calculated Property |
| Tfus | 376.80 ± 3.00 | K | NIST |
| Vc | 3.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [170.00; 324.00] | kJ/mol | [298.15; 785.00] | 
|
| ΔvapH | 324.00 | kJ/mol | 298.15 | Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C40 to C76 at T = 298.15 K by Correlation-Gas Chromatography. Are the Vaporization Enthalpies a Linear Function of Carbon Number? |
| ΔvapH | 170.00 | kJ/mol | 785.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1405.59; 3424.33] | 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 | -5.71060e+01 | |||
| Coefficient B | 6.27384e+00 | |||
| Coefficient C | -3.56660e-03 | |||
| Coefficient D | 7.74200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 1405.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1750.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 2059.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 2334.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 2579.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 2795.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2985.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 3152.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 3297.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 3424.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0397039; 4.5864096e-09] | Pa×s | [376.80; 4858.46] |
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 | -2.05432e+01 | |||
| Coefficient B | 6.52500e+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. | 376.80 | |||
| Temperature range, max. | 4858.46 | |||
| η | 0.0397039 | Pa×s | 376.80 | Calculated Property |
| η | 0.0000021 | Pa×s | 874.76 | Calculated Property |
| η | 0.0000001 | Pa×s | 1372.72 | Calculated Property |
| η | 3.9177502e-08 | Pa×s | 1870.69 | Calculated Property |
| η | 1.8818000e-08 | Pa×s | 2368.65 | Calculated Property |
| η | 1.1661419e-08 | Pa×s | 2866.61 | Calculated Property |
| η | 8.3261717e-09 | Pa×s | 3364.57 | Calculated Property |
| η | 6.4843011e-09 | Pa×s | 3862.54 | Calculated Property |
| η | 5.3466386e-09 | Pa×s | 4360.50 | Calculated Property |
| η | 4.5864096e-09 | Pa×s | 4858.46 | Calculated Property |
Similar Compounds
Find more compounds similar to hexahexacontane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C40 to C76 at T = 298.15 K by Correlation-Gas Chromatography. Are the Vaporization Enthalpies a Linear Function of Carbon Number?
- Joback Method
- McGowan Method
- NIST Webbook
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