- InChI
- InChI=1S/C64H130/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-64H2,1-2H3
- InChI Key
- QEQOTIFAPIDGFL-UHFFFAOYSA-N
- Formula
- C64H130
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCC - Molecular Weight1
- 899.72
- CAS
- 7719-87-1
- 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 | 2.4104 | Relay (1.0) Calculated Property | |
| ΔfG° | 488.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1364.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 161.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 315.40 ± 0.40 | kJ/mol | NIST |
| IE | 11.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -20.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 25.212 | Crippen Calculated Property | |
| McVol | 912.620 | ml/mol | McGowan Calculated Property |
| Pc | 184.51 | kPa | Joback Calculated Property |
| Tboil | 845.27 | K | Relay (1.0) Calculated Property |
| Tc | 980.15 | K | Relay (1.0) Calculated Property |
| Tfus | [371.00; 375.20] | K |
|
| Tfus | 375.20 ± 0.25 | K | NIST |
| Tfus | 375.00 ± 4.00 | K | NIST |
| Tfus | 371.00 ± 4.00 | K | NIST |
| Vc | 3.597 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [3951.13; 53981.47] | J/mol×K | [1663.72; 5509.01] |
|
| Cp,gas | 3951.13 | J/mol×K | 1663.72 | Joback Calculated Property |
| Cp,gas | 4785.54 | J/mol×K | 2304.60 | Joback Calculated Property |
| Cp,gas | 7041.32 | J/mol×K | 2945.48 | Joback Calculated Property |
| Cp,gas | 11903.65 | J/mol×K | 3586.36 | Joback Calculated Property |
| Cp,gas | 20557.68 | J/mol×K | 4227.24 | Joback Calculated Property |
| Cp,gas | 34188.57 | J/mol×K | 4868.13 | Joback Calculated Property |
| Cp,gas | 53981.47 | J/mol×K | 5509.01 | Joback Calculated Property |
| η | [7.7953927e-08; 0.0000043] | Pa×s | [811.04; 1663.72] |
|
| η | 0.0000043 | Pa×s | 811.04 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 953.15 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 1095.27 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 1237.38 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1379.49 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 1521.61 | Joback Calculated Property |
| η | 7.7953927e-08 | Pa×s | 1663.72 | Joback Calculated Property |
| ΔvapH | [168.30; 315.40] | kJ/mol | [298.15; 778.50] |
|
| ΔvapH | 315.40 | 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 | 168.30 | kJ/mol | 778.50 | NIST |
Similar Compounds
Find more compounds similar to tetrahexacontane.
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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