- InChI
- InChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3
- InChI Key
- VLHZQNGNJQYAIZ-UHFFFAOYSA-N
- Formula
- C23H46
- SMILES
- CCCCCCCCCCCCCCCCCC1CCCCC1
- Molecular Weight1
- 322.62
- CAS
- 19781-73-8
- Other Names
-
- Cyclohexane, heptadecyl-
- Heptadecylcyclohexane
- Hexadecylcyclohexane
- 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.
- 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 | 0.8538 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.828 | Crippen Calculated Property | |
| McVol | 324.070 | ml/mol | McGowan Calculated Property |
| Pc | 963.87 | kPa | Joback Calculated Property |
| Inp | 372.80 | NIST | |
| Tboil | 629.31 | K | Relay (1.0) Calculated Property |
| Tc | 810.15 | K | Relay (1.0) Calculated Property |
| Tfus | 311.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.249 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 97.60 | kJ/mol | 539.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.28; 1191.00] | 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 | -8.36240e+01 | |||
| Coefficient B | 2.31092e+00 | |||
| Coefficient C | -1.30840e-03 | |||
| Coefficient D | 2.72100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 455.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 582.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 695.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 797.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 886.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 965.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1034.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1094.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1146.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1191.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0090032; 0.0001173] | Pa×s | [311.15; 647.34] |
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 | -1.30675e+01 | |||
| Coefficient B | 2.60039e+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. | 311.15 | |||
| Temperature range, max. | 647.34 | |||
| η | 0.0090032 | Pa×s | 311.15 | Calculated Property |
| η | 0.0036760 | Pa×s | 348.50 | Calculated Property |
| η | 0.0017851 | Pa×s | 385.86 | Calculated Property |
| η | 0.0009848 | Pa×s | 423.21 | Calculated Property |
| η | 0.0005983 | Pa×s | 460.57 | Calculated Property |
| η | 0.0003917 | Pa×s | 497.92 | Calculated Property |
| η | 0.0002721 | Pa×s | 535.27 | Calculated Property |
| η | 0.0001982 | Pa×s | 572.63 | Calculated Property |
| η | 0.0001501 | Pa×s | 609.98 | Calculated Property |
| η | 0.0001173 | Pa×s | 647.34 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [504.71; 684.59] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49287e+01 | |||
| Coefficient B | -5.04154e+03 | |||
| Coefficient C | -1.60369e+02 | |||
| Temperature range, min. | 504.71 | |||
| Temperature range, max. | 684.59 | |||
| Pvap | 1.33 | kPa | 504.71 | Calculated Property |
| Pvap | 2.98 | kPa | 524.70 | Calculated Property |
| Pvap | 6.11 | kPa | 544.68 | Calculated Property |
| Pvap | 11.69 | kPa | 564.67 | Calculated Property |
| Pvap | 21.04 | kPa | 584.66 | Calculated Property |
| Pvap | 35.91 | kPa | 604.64 | Calculated Property |
| Pvap | 58.52 | kPa | 624.63 | Calculated Property |
| Pvap | 91.62 | kPa | 644.62 | Calculated Property |
| Pvap | 138.42 | kPa | 664.60 | Calculated Property |
| Pvap | 202.66 | kPa | 684.59 | Calculated Property |
Similar Compounds
Find more compounds similar to N-heptadecylcyclohexane.
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
- The Yaws Handbook of Vapor Pressure
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