- InChI
- InChI=1S/C26H46/c1-3-5-7-9-11-12-13-15-18-22-25(26-23-19-16-20-24-26)21-17-14-10-8-6-4-2/h16,19-20,23-25H,3-15,17-18,21-22H2,1-2H3
- InChI Key
- KZUKFVROQBTEQY-UHFFFAOYSA-N
- Formula
- C26H46
- SMILES
- CCCCCCCCCCCC(CCCCCCCC)c1ccccc1
- Molecular Weight1
- 358.65
- Other Names
-
- Eicosane, 9-phenyl-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.9579 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -16329.30 ± 6.30 | kJ/mol | NIST |
| ΔfG° | 278.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -476.00 ± 6.30 | kJ/mol | NIST |
| ΔfusH° | 53.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 ± 0.10 | eV | NIST |
| log10WS | -9.22 | Relay (1.0) 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 | 639.72 | K | Relay (1.0) Calculated Property |
| Tc | 835.05 | K | Relay (1.0) Calculated Property |
| Tfus | [291.05; 291.05] | K |
|
| Tfus | 291.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 291.05 ± 0.50 | K | NIST |
| Vc | 1.346 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 91.90 | kJ/mol | 501.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.47; 1242.71] | 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 | -5.63330e+01 | |||
| Coefficient B | 2.40084e+00 | |||
| Coefficient C | -1.42500e-03 | |||
| Coefficient D | 3.23200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 499.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 628.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 744.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 846.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 936.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1016.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1085.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1145.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1197.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1242.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0217362; 0.0000714] | Pa×s | [291.05; 706.60] |
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 | -1.35516e+01 | |||
| Coefficient B | 2.82984e+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. | 291.05 | |||
| Temperature range, max. | 706.60 | |||
| η | 0.0217362 | Pa×s | 291.05 | Calculated Property |
| η | 0.0057415 | Pa×s | 337.22 | Calculated Property |
| η | 0.0020899 | Pa×s | 383.40 | Calculated Property |
| η | 0.0009453 | Pa×s | 429.57 | Calculated Property |
| η | 0.0004988 | Pa×s | 475.74 | Calculated Property |
| η | 0.0002947 | Pa×s | 521.91 | Calculated Property |
| η | 0.0001897 | Pa×s | 568.09 | Calculated Property |
| η | 0.0001304 | Pa×s | 614.26 | Calculated Property |
| η | 0.0000945 | Pa×s | 660.43 | Calculated Property |
| η | 0.0000714 | Pa×s | 706.60 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Phenyleicosane.
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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