- InChI
- InChI=1S/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h21H,2-20H2,1H3
- InChI Key
- ZNUABQHWFGTOCO-UHFFFAOYSA-N
- Formula
- C21H42
- SMILES
- CCCCCCCCCCCCCCCC1CCCCC1
- Molecular Weight1
- 294.56
- CAS
- 6006-95-7
- Other Names
-
- cyclohexane, pentadecyl-
- pentadecane, 1-cyclohexyl-
- pentadecylcyclohexane
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.7836 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -13826.50 ± 3.20 | kJ/mol | NIST |
| ΔfG° | 150.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.90 ± 3.50 | kJ/mol | NIST |
| ΔfusH° | 41.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.40 | kJ/mol | NIST |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.048 | Crippen Calculated Property | |
| McVol | 295.890 | ml/mol | McGowan Calculated Property |
| Pc | 1089.94 | kPa | Joback Calculated Property |
| Tboil | 616.01 | K | Relay (1.0) Calculated Property |
| Tc | 795.60 | K | Relay (1.0) Calculated Property |
| Tfus | 302.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.135 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [58.30; 58.70] | kJ/mol | [298.20; 301.00] | 
|
| ΔfusH | 58.70 | kJ/mol | 298.20 | NIST |
| ΔfusH | 58.30 | kJ/mol | 301.00 | NIST |
| ΔvapH | 77.20 | kJ/mol | 586.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tfus(P) | [298.10; 320.80] | K | [100.00; 100100.00] |
|
| Tfus(P) | 298.10 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 302.60 | K | 19300.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 307.60 | K | 40000.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 312.30 | K | 60100.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 316.80 | K | 80300.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 320.80 | K | 100100.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.85; 1087.81] | 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 | -8.18060e+01 | |||
| Coefficient B | 2.12092e+00 | |||
| Coefficient C | -1.19960e-03 | |||
| Coefficient D | 2.48300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 412.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 529.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 633.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 726.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 808.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 881.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 944.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 999.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1047.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1087.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0084173; 0.0001454] | Pa×s | [302.15; 614.67] |
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 | -1.27605e+01 | |||
| Coefficient B | 2.41207e+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. | 302.15 | |||
| Temperature range, max. | 614.67 | |||
| η | 0.0084173 | Pa×s | 302.15 | Calculated Property |
| η | 0.0036966 | Pa×s | 336.87 | Calculated Property |
| η | 0.0018933 | Pa×s | 371.60 | Calculated Property |
| η | 0.0010872 | Pa×s | 406.32 | Calculated Property |
| η | 0.0006813 | Pa×s | 441.05 | Calculated Property |
| η | 0.0004571 | Pa×s | 475.77 | Calculated Property |
| η | 0.0003237 | Pa×s | 510.50 | Calculated Property |
| η | 0.0002396 | Pa×s | 545.22 | Calculated Property |
| η | 0.0001839 | Pa×s | 579.94 | Calculated Property |
| η | 0.0001454 | Pa×s | 614.67 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [486.29; 657.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52537e+01 | |||
| Coefficient B | -5.07833e+03 | |||
| Coefficient C | -1.46968e+02 | |||
| Temperature range, min. | 486.29 | |||
| Temperature range, max. | 657.75 | |||
| Pvap | 1.33 | kPa | 486.29 | Calculated Property |
| Pvap | 2.95 | kPa | 505.34 | Calculated Property |
| Pvap | 6.04 | kPa | 524.39 | Calculated Property |
| Pvap | 11.53 | kPa | 543.44 | Calculated Property |
| Pvap | 20.75 | kPa | 562.49 | Calculated Property |
| Pvap | 35.45 | kPa | 581.55 | Calculated Property |
| Pvap | 57.91 | kPa | 600.60 | Calculated Property |
| Pvap | 90.93 | kPa | 619.65 | Calculated Property |
| Pvap | 137.87 | kPa | 638.70 | Calculated Property |
| Pvap | 202.65 | kPa | 657.75 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Pentadecylcyclohexane.
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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