- InChI
- InChI=1S/C26H46/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-25(21-4-2)26-23-19-17-20-24-26/h17,19-20,23-25H,3-16,18,21-22H2,1-2H3
- InChI Key
- RFNYELHDUBVQMR-UHFFFAOYSA-N
- Formula
- C26H46
- SMILES
- CCCCCCCCCCCCCCCCC(CCC)c1ccccc1
- Molecular Weight1
- 358.64
- CAS
- 2400-03-5
- Other Names
-
- Eicosane, 4-phenyl-
- 4-Phenyleicosane
- 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 |
|---|---|---|---|
| ΔfG° | 278.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.36 | kJ/mol | Joback Calculated Property |
| IE | 9.00 ± 0.10 | eV | NIST |
| log10WS | -9.77 | Crippen Calculated Property | |
| logPoct/wat | 9.442 | Crippen Calculated Property | |
| McVol | 353.440 | ml/mol | McGowan Calculated Property |
| Pc | 877.91 | kPa | Joback Calculated Property |
| Tboil | 820.52 | K | Joback Calculated Property |
| Tc | 1009.19 | K | Joback Calculated Property |
| Tfus | 394.20 | K | Joback Calculated Property |
| Vc | 1.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1132.76; 1247.45] | J/mol×K | [820.52; 1009.19] | 
|
| Cp,gas | 1132.76 | J/mol×K | 820.52 | Joback Calculated Property |
| Cp,gas | 1154.64 | J/mol×K | 851.96 | Joback Calculated Property |
| Cp,gas | 1175.33 | J/mol×K | 883.41 | Joback Calculated Property |
| Cp,gas | 1194.89 | J/mol×K | 914.85 | Joback Calculated Property |
| Cp,gas | 1213.40 | J/mol×K | 946.30 | Joback Calculated Property |
| Cp,gas | 1230.90 | J/mol×K | 977.74 | Joback Calculated Property |
| Cp,gas | 1247.45 | J/mol×K | 1009.19 | Joback Calculated Property |
| η | [0.0000410; 0.0017071] | Pa×s | [394.20; 820.52] |
|
| η | 0.0017071 | Pa×s | 394.20 | Joback Calculated Property |
| η | 0.0005703 | Pa×s | 465.25 | Joback Calculated Property |
| η | 0.0002548 | Pa×s | 536.31 | Joback Calculated Property |
| η | 0.0001374 | Pa×s | 607.36 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 678.41 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 749.47 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 820.52 | Joback Calculated Property |
| ΔvapH | 88.20 | kJ/mol | 507.00 | NIST |
Similar Compounds
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Sources
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