- InChI
- InChI=1S/C26H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h19,21-22,24-25H,2-18,20,23H2,1H3
- InChI Key
- HPPLZROUJULWGU-UHFFFAOYSA-N
- Formula
- C26H46
- SMILES
- CCCCCCCCCCCCCCCCCCCCc1ccccc1
- Molecular Weight1
- 358.64
- CAS
- 2398-68-7
- Other Names
-
- 1-Phenyleicosane
- Eicosane, 1-phenyl-
- n-Eicosylbenzene
- 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 | 1.0243 | Relay (1.0) Calculated Property | |
| ΔfG° | 280.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 ± 0.10 | eV | NIST |
| log10WS | -9.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.271 | Crippen Calculated Property | |
| McVol | 353.440 | ml/mol | McGowan Calculated Property |
| Pc | 873.77 | kPa | Joback Calculated Property |
| Tboil | 645.49 | K | Relay (1.0) Calculated Property |
| Tc | 831.67 | K | Relay (1.0) Calculated Property |
| Tfus | [312.65; 317.15] | K |
|
| Tfus | 317.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 315.45 ± 1.50 | K | NIST |
| Tfus | 316.65 ± 1.50 | K | NIST |
| Tfus | 315.15 ± 2.00 | K | NIST |
| Tfus | 313.90 ± 3.00 | K | NIST |
| Tfus | 312.65 ± 3.00 | K | NIST |
| Tfus | 315.45 ± 1.50 | K | NIST |
| Vc | 1.395 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 94.70 | kJ/mol | 518.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.78; 1242.17] | 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 | -5.46510e+01 | |||
| Coefficient B | 2.39492e+00 | |||
| Coefficient C | -1.42180e-03 | |||
| Coefficient D | 3.23700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 499.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 629.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 744.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 846.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 936.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1015.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1084.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1144.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1196.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1242.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0104651; 0.0000776] | Pa×s | [315.20; 706.25] |
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 | -1.34176e+01 | |||
| Coefficient B | 2.79202e+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. | 315.20 | |||
| Temperature range, max. | 706.25 | |||
| η | 0.0104651 | Pa×s | 315.20 | Calculated Property |
| η | 0.0035784 | Pa×s | 358.65 | Calculated Property |
| η | 0.0015430 | Pa×s | 402.10 | Calculated Property |
| η | 0.0007839 | Pa×s | 445.55 | Calculated Property |
| η | 0.0004492 | Pa×s | 489.00 | Calculated Property |
| η | 0.0002819 | Pa×s | 532.45 | Calculated Property |
| η | 0.0001898 | Pa×s | 575.90 | Calculated Property |
| η | 0.0001351 | Pa×s | 619.35 | Calculated Property |
| η | 0.0001005 | Pa×s | 662.80 | Calculated Property |
| η | 0.0000776 | Pa×s | 706.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, eicosyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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