- InChI
- InChI=1S/C26H52/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/h26H,2-25H2,1H3
- InChI Key
- PSPNTGGVAYLSJO-UHFFFAOYSA-N
- Formula
- C26H52
- SMILES
- CCCCCCCCCCCCCCCCCCCCC1CCCCC1
- Molecular Weight1
- 364.70
- Other Names
-
- 1-Cyclohexyleicosane
- Eicosane, 1-cyclohexyl-
- n-Eicosylcyclohexane
- 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 | 0.9587 | Relay (1.0) Calculated Property | |
| ΔfG° | 192.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.998 | Crippen Calculated Property | |
| McVol | 366.340 | ml/mol | McGowan Calculated Property |
| Pc | 812.14 | kPa | Joback Calculated Property |
| Tboil | 648.93 | K | Relay (1.0) Calculated Property |
| Tc | 830.62 | K | Relay (1.0) Calculated Property |
| Tfus | [321.05; 321.65] | K |
|
| Tfus | 321.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 321.05 ± 0.50 | K | NIST |
| Tfus | 321.05 ± 1.50 | K | NIST |
| Vc | 1.418 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 94.20 | kJ/mol | 518.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.92; 1345.77] | 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 | -8.63510e+01 | |||
| Coefficient B | 2.59592e+00 | |||
| Coefficient C | -1.47160e-03 | |||
| Coefficient D | 3.07800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 518.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 661.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 789.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 902.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1003.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1092.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1169.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1237.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1295.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1345.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0103786; 0.0000810] | Pa×s | [321.25; 699.52] |
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 | -1.35419e+01 | |||
| Coefficient B | 2.88287e+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. | 321.25 | |||
| Temperature range, max. | 699.52 | |||
| η | 0.0103786 | Pa×s | 321.25 | Calculated Property |
| η | 0.0036748 | Pa×s | 363.28 | Calculated Property |
| η | 0.0016138 | Pa×s | 405.31 | Calculated Property |
| η | 0.0008272 | Pa×s | 447.34 | Calculated Property |
| η | 0.0004756 | Pa×s | 489.37 | Calculated Property |
| η | 0.0002985 | Pa×s | 531.40 | Calculated Property |
| η | 0.0002005 | Pa×s | 573.43 | Calculated Property |
| η | 0.0001423 | Pa×s | 615.46 | Calculated Property |
| η | 0.0001055 | Pa×s | 657.49 | Calculated Property |
| η | 0.0000810 | Pa×s | 699.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 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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