- InChI
- InChI=1S/C19H38/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h19H,2-18H2,1H3
- InChI Key
- DKRUJKKWJGNYQN-UHFFFAOYSA-N
- Formula
- C19H38
- SMILES
- CCCCCCCCCCCCCC1CCCCC1
- Molecular Weight1
- 266.50
- CAS
- 6006-33-3
- Other Names
-
- cyclohexane, tridecyl-
- tridecane, 1-cyclohexyl-
- tridecylcyclohexane
- 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).
- 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.
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7000 | KDB | |
| ΔcH°liquid | -12509.00 ± 2.80 | kJ/mol | NIST |
| ΔfG° | 133.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.70 ± 3.10 | kJ/mol | NIST |
| ΔfusH° | 36.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.50 | kJ/mol | NIST |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.268 | Crippen Calculated Property | |
| McVol | 267.710 | ml/mol | McGowan Calculated Property |
| Pc | 1240.00 | kPa | KDB |
| Inp | [1918.00; 1968.00] |
|
|
| Inp | 1918.00 | NIST | |
| Inp | 1949.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Tboil | [600.00; 614.70] | K |
|
| Tboil | 614.70 | K | KDB |
| Tboil | 600.00 ± 3.00 | K | NIST |
| Tc | 783.40 | K | KDB |
| Tfus | [291.65; 292.00] | K |
|
| Tfus | 291.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 292.00 | K | KDB |
| Vc | 1.032 | m3/kmol | KDB |
| Zc | 0.1965580 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [55.10; 72.20] | kJ/mol | [562.50; 614.70] |
|
| ΔvapH | 72.20 | kJ/mol | 562.50 | NIST |
| ΔvapH | 55.10 | kJ/mol | 614.70 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tfus(P) | [286.90; 309.10] | K | [100.00; 100000.00] |
|
| Tfus(P) | 286.90 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 291.70 | K | 20000.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 296.30 | K | 40200.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 300.70 | K | 60000.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 304.90 | K | 80100.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 309.10 | K | 100000.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.42; 984.63] | 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 | -7.99880e+01 | |||
| Coefficient B | 1.93092e+00 | |||
| Coefficient C | -1.09080e-03 | |||
| Coefficient D | 2.24500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 370.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 476.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 571.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 656.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 731.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 796.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 854.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 904.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 947.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 984.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0078879; 0.0002232] | Pa×s | [291.82; 548.38] |
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 | -1.24626e+01 | |||
| Coefficient B | 2.22375e+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. | 291.82 | |||
| Temperature range, max. | 548.38 | |||
| η | 0.0078879 | Pa×s | 291.82 | Calculated Property |
| η | 0.0040037 | Pa×s | 320.33 | Calculated Property |
| η | 0.0022703 | Pa×s | 348.84 | Calculated Property |
| η | 0.0014026 | Pa×s | 377.34 | Calculated Property |
| η | 0.0009272 | Pa×s | 405.85 | Calculated Property |
| η | 0.0006472 | Pa×s | 434.36 | Calculated Property |
| η | 0.0004721 | Pa×s | 462.86 | Calculated Property |
| η | 0.0003573 | Pa×s | 491.37 | Calculated Property |
| η | 0.0002788 | Pa×s | 519.87 | Calculated Property |
| η | 0.0002232 | Pa×s | 548.38 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [464.37; 632.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54555e+01 | |||
| Coefficient B | -5.14804e+03 | |||
| Coefficient C | -1.24963e+02 | |||
| Temperature range, min. | 464.37 | |||
| Temperature range, max. | 632.46 | |||
| Pvap | 1.33 | kPa | 464.37 | Calculated Property |
| Pvap | 2.94 | kPa | 483.05 | Calculated Property |
| Pvap | 6.00 | kPa | 501.72 | Calculated Property |
| Pvap | 11.44 | kPa | 520.40 | Calculated Property |
| Pvap | 20.57 | kPa | 539.08 | Calculated Property |
| Pvap | 35.18 | kPa | 557.75 | Calculated Property |
| Pvap | 57.54 | kPa | 576.43 | Calculated Property |
| Pvap | 90.52 | kPa | 595.11 | Calculated Property |
| Pvap | 137.54 | kPa | 613.78 | Calculated Property |
| Pvap | 202.65 | kPa | 632.46 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Tridecylcyclohexane.
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
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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