- InChI
- InChI=1S/C25H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h25H,2-24H2,1H3
- InChI Key
- YVTPTBVYGTYTKP-UHFFFAOYSA-N
- Formula
- C25H50
- SMILES
- CCCCCCCCCCCCCCCCCCCC1CCCCC1
- Molecular Weight1
- 350.67
- CAS
- 22349-03-7
- Other Names
-
- 1-cyclohexylnonadecane
- nonadecylcyclohexane
- 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).
- 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).
- 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 | 0.9237 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.608 | Crippen Calculated Property | |
| McVol | 352.250 | ml/mol | McGowan Calculated Property |
| Pc | 858.47 | kPa | Joback Calculated Property |
| Inp | 2573.56 | NIST | |
| Ip | [2665.56; 2665.56] |
|
|
| Ip | 2665.56 | NIST | |
| Ip | 2665.56 | NIST | |
| Tboil | 642.48 | K | Relay (1.0) Calculated Property |
| Tc | 824.02 | K | Relay (1.0) Calculated Property |
| Tfus | [303.10; 318.15] | K |
|
| Tfus | 318.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 315.70 ± 0.05 | K | NIST |
| Tfus | 303.10 ± 0.14 | K | NIST |
| Vc | 1.362 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [77.79; 79.90] | kJ/mol | [313.20; 317.00] |
|
| ΔfusH | 78.80 | kJ/mol | 313.20 | NIST |
| ΔfusH | 79.90 | kJ/mol | 315.70 | NIST |
| ΔfusH | 77.79 | kJ/mol | 316.20 | NIST |
| ΔfusH | 77.80 | kJ/mol | 317.00 | NIST |
| ΔvapH | 102.80 | kJ/mol | 558.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tfus(P) | [315.70; 333.70] | K | [100.00; 78000.00] |
|
| Tfus(P) | 315.70 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 320.60 | K | 19800.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 324.80 | K | 39500.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 329.20 | K | 59800.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
| Tfus(P) | 333.70 | K | 78000.00 | Solid-Liquid Equilibria under High Pressure of Eight Pure n-Alkylcyclohexanes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.71; 1294.18] | 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 | -8.54420e+01 | |||
| Coefficient B | 2.50092e+00 | |||
| Coefficient C | -1.41720e-03 | |||
| Coefficient D | 2.95900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 497.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 635.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 758.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 867.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 964.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1049.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1124.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1189.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1245.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1294.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0116432; 0.0000922] | Pa×s | [312.32; 681.65] |
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 | -1.33821e+01 | |||
| Coefficient B | 2.78871e+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. | 312.32 | |||
| Temperature range, max. | 681.65 | |||
| η | 0.0116432 | Pa×s | 312.32 | Calculated Property |
| η | 0.0041278 | Pa×s | 353.35 | Calculated Property |
| η | 0.0018159 | Pa×s | 394.39 | Calculated Property |
| η | 0.0009325 | Pa×s | 435.43 | Calculated Property |
| η | 0.0005372 | Pa×s | 476.46 | Calculated Property |
| η | 0.0003377 | Pa×s | 517.50 | Calculated Property |
| η | 0.0002273 | Pa×s | 558.54 | Calculated Property |
| η | 0.0001615 | Pa×s | 599.57 | Calculated Property |
| η | 0.0001199 | Pa×s | 640.61 | Calculated Property |
| η | 0.0000922 | Pa×s | 681.65 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [521.28; 710.64] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42474e+01 | |||
| Coefficient B | -4.70174e+03 | |||
| Coefficient C | -1.84475e+02 | |||
| Temperature range, min. | 521.28 | |||
| Temperature range, max. | 710.64 | |||
| Pvap | 1.33 | kPa | 521.28 | Calculated Property |
| Pvap | 3.03 | kPa | 542.32 | Calculated Property |
| Pvap | 6.28 | kPa | 563.36 | Calculated Property |
| Pvap | 12.07 | kPa | 584.40 | Calculated Property |
| Pvap | 21.73 | kPa | 605.44 | Calculated Property |
| Pvap | 36.97 | kPa | 626.48 | Calculated Property |
| Pvap | 59.95 | kPa | 647.52 | Calculated Property |
| Pvap | 93.21 | kPa | 668.56 | Calculated Property |
| Pvap | 139.68 | kPa | 689.60 | Calculated Property |
| Pvap | 202.67 | kPa | 710.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, nonadecyl-.
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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