- InChI
- InChI=1S/C52H106/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-52H2,1-2H3
- InChI Key
- HAIPLQZWDQVPPR-UHFFFAOYSA-N
- Formula
- C52H106
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCCCC - Molecular Weight1
- 731.42
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 1.9894 | Relay (1.0) Calculated Property | |
| ΔfG° | 386.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1120.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 130.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 261.80 ± 1.50 | kJ/mol | NIST |
| IE | 11.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -17.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 20.531 | Crippen Calculated Property | |
| McVol | 743.540 | ml/mol | McGowan Calculated Property |
| Pc | 259.31 | kPa | Joback Calculated Property |
| Tboil | 771.67 | K | Relay (1.0) Calculated Property |
| Tc | 923.33 | K | Relay (1.0) Calculated Property |
| Tfus | 367.00 ± 5.00 | K | NIST |
| Vc | 2.955 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [3039.24; 4086.78] | J/mol×K | [1389.16; 2411.65] | 
|
| Cp,gas | 3039.24 | J/mol×K | 1389.16 | Joback Calculated Property |
| Cp,gas | 3148.20 | J/mol×K | 1559.58 | Joback Calculated Property |
| Cp,gas | 3259.35 | J/mol×K | 1729.99 | Joback Calculated Property |
| Cp,gas | 3390.75 | J/mol×K | 1900.41 | Joback Calculated Property |
| Cp,gas | 3560.42 | J/mol×K | 2070.82 | Joback Calculated Property |
| Cp,gas | 3786.42 | J/mol×K | 2241.24 | Joback Calculated Property |
| Cp,gas | 4086.78 | J/mol×K | 2411.65 | Joback Calculated Property |
| η | [0.0000006; 0.0000340] | Pa×s | [675.80; 1389.16] |
|
| η | 0.0000340 | Pa×s | 675.80 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 794.69 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 913.59 | Joback Calculated Property |
| η | 0.0000024 | Pa×s | 1032.48 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 1151.37 | Joback Calculated Property |
| η | 0.0000009 | Pa×s | 1270.27 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 1389.16 | Joback Calculated Property |
| ΔfusH | 171.80 | kJ/mol | 366.70 | NIST |
| ΔvapH | [152.00; 261.80] | kJ/mol | [298.15; 736.00] |
|
| ΔvapH | 261.80 | 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 | 152.00 | kJ/mol | 736.00 | NIST |
Similar Compounds
Find more compounds similar to dopentacontane.
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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