- InChI
- InChI=1S/C62H126/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-62H2,1-2H3
- InChI Key
- NHAQDJWMCPLLCY-UHFFFAOYSA-N
- Formula
- C62H126
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CC - Molecular Weight1
- 871.66
- CAS
- 7719-83-7
- 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 | 2.3402 | Relay (1.0) Calculated Property | |
| ΔfG° | 471.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1324.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 156.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 306.80 ± 0.10 | kJ/mol | NIST |
| IE | 11.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -20.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 24.432 | Crippen Calculated Property | |
| McVol | 884.440 | ml/mol | McGowan Calculated Property |
| Pc | 194.52 | kPa | Joback Calculated Property |
| Tboil | 833.01 | K | Relay (1.0) Calculated Property |
| Tc | 972.36 | K | Relay (1.0) Calculated Property |
| Tfus | [375.00; 375.00] | K |
|
| Tfus | 375.00 ± 6.00 | K | NIST |
| Tfus | 375.00 ± 4.00 | K | NIST |
| Vc | 3.491 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [165.20; 306.80] | kJ/mol | [298.15; 773.00] |
|
| ΔvapH | 306.80 | 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 | 165.20 | kJ/mol | 773.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1320.73; 3217.97] | 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 | -5.34700e+01 | |||
| Coefficient B | 5.89384e+00 | |||
| Coefficient C | -3.34900e-03 | |||
| Coefficient D | 7.26600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 1320.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1644.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1934.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 2193.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 2423.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 2626.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 2805.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2962.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 3098.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 3217.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0329113; 1.7109446e-08] | Pa×s | [375.00; 3192.41] |
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 | -1.98096e+01 | |||
| Coefficient B | 6.14836e+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. | 375.00 | |||
| Temperature range, max. | 3192.41 | |||
| η | 0.0329113 | Pa×s | 375.00 | Calculated Property |
| η | 0.0000190 | Pa×s | 688.05 | Calculated Property |
| η | 0.0000012 | Pa×s | 1001.09 | Calculated Property |
| η | 0.0000003 | Pa×s | 1314.14 | Calculated Property |
| η | 0.0000001 | Pa×s | 1627.18 | Calculated Property |
| η | 5.9298622e-08 | Pa×s | 1940.23 | Calculated Property |
| η | 3.8180889e-08 | Pa×s | 2253.27 | Calculated Property |
| η | 2.7371158e-08 | Pa×s | 2566.32 | Calculated Property |
| η | 2.1094633e-08 | Pa×s | 2879.36 | Calculated Property |
| η | 1.7109446e-08 | Pa×s | 3192.41 | Calculated Property |
Similar Compounds
Find more compounds similar to dohexacontane.
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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