- InChI
- InChI=1S/C24H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h24H,2-23H2,1H3
- InChI Key
- MWWVNZNVTGBKQO-UHFFFAOYSA-N
- Formula
- C24H48
- SMILES
- CCCCCCCCCCCCCCCCCCC1CCCCC1
- Molecular Weight1
- 336.64
- CAS
- 4445-06-1
- Other Names
-
- 1-cyclohexyloctadecane
- n-Octadecyl-cyclohexane
- octadecane, 1-cyclohexyl-
- octadecylcyclohexane
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Tfus(P) : Melting 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 | 0.8888 | Relay (1.0) Calculated Property | |
| ΔfG° | 175.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.218 | Crippen Calculated Property | |
| McVol | 338.160 | ml/mol | McGowan Calculated Property |
| Pc | 908.89 | kPa | Joback Calculated Property |
| Inp | [2473.00; 2486.70] |
|
|
| Inp | 2473.00 | NIST | |
| Inp | 2486.70 | NIST | |
| Inp | 2481.10 | NIST | |
| Inp | 2486.00 | NIST | |
| Ip | 2502.40 | NIST | |
| Tboil | 635.91 | K | Relay (1.0) Calculated Property |
| Tc | 817.17 | K | Relay (1.0) Calculated Property |
| Tfus | [314.15; 316.40] | K |
|
| Tfus | 314.75 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 314.80 ± 0.50 | K | NIST |
| Tfus | 314.70 ± 0.10 | K | NIST |
| Tfus | 314.15 ± 2.00 | K | NIST |
| Tfus | 316.40 ± 2.00 | K | NIST |
| Vc | 1.305 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 100.30 | kJ/mol | 548.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tfus(P) | [314.30; 328.80] | K | [100.00; 59600.00] |
|
| Tfus(P) | 314.30 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 319.30 | K | 20000.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 324.20 | K | 39900.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 328.80 | K | 59600.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.49; 1242.59] | 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 | -8.45330e+01 | |||
| Coefficient B | 2.40592e+00 | |||
| Coefficient C | -1.36280e-03 | |||
| Coefficient D | 2.84000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 476.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 608.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 726.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 832.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 925.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1007.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1079.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1142.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1196.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1242.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0093840; 0.0001044] | Pa×s | [314.96; 664.27] |
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 | -1.32240e+01 | |||
| Coefficient B | 2.69455e+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. | 314.96 | |||
| Temperature range, max. | 664.27 | |||
| η | 0.0093840 | Pa×s | 314.96 | Calculated Property |
| η | 0.0036709 | Pa×s | 353.77 | Calculated Property |
| η | 0.0017288 | Pa×s | 392.58 | Calculated Property |
| η | 0.0009323 | Pa×s | 431.40 | Calculated Property |
| η | 0.0005567 | Pa×s | 470.21 | Calculated Property |
| η | 0.0003597 | Pa×s | 509.02 | Calculated Property |
| η | 0.0002472 | Pa×s | 547.83 | Calculated Property |
| η | 0.0001785 | Pa×s | 586.64 | Calculated Property |
| η | 0.0001342 | Pa×s | 625.45 | Calculated Property |
| η | 0.0001044 | Pa×s | 664.27 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [513.37; 697.64] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46349e+01 | |||
| Coefficient B | -4.90655e+03 | |||
| Coefficient C | -1.71383e+02 | |||
| Temperature range, min. | 513.37 | |||
| Temperature range, max. | 697.64 | |||
| Pvap | 1.33 | kPa | 513.37 | Calculated Property |
| Pvap | 3.00 | kPa | 533.84 | Calculated Property |
| Pvap | 6.18 | kPa | 554.32 | Calculated Property |
| Pvap | 11.85 | kPa | 574.79 | Calculated Property |
| Pvap | 21.32 | kPa | 595.27 | Calculated Property |
| Pvap | 36.35 | kPa | 615.74 | Calculated Property |
| Pvap | 59.11 | kPa | 636.22 | Calculated Property |
| Pvap | 92.27 | kPa | 656.69 | Calculated Property |
| Pvap | 138.94 | kPa | 677.17 | Calculated Property |
| Pvap | 202.64 | kPa | 697.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, octadecyl-.
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
- Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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