- InChI
- InChI=1S/C16H32/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h15-16H,3-14H2,1-2H3
- InChI Key
- OUPADZQNAUCFAW-UHFFFAOYSA-N
- Formula
- C16H32
- SMILES
- CCCCCCCC(CC)C1CCCCC1
- Molecular Weight1
- 224.43
- Other Names
-
- (1-Ethyloctyl)cyclohexane
- Cyclohexane, 1-ethyloctyl
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical 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 | 0.5442 | Relay (1.0) Calculated Property | |
| ΔfG° | 105.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.953 | Crippen Calculated Property | |
| McVol | 225.440 | ml/mol | McGowan Calculated Property |
| Pc | 1548.78 | kPa | Joback Calculated Property |
| Inp | [1625.00; 1625.00] |
|
|
| Inp | 1625.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Tboil | 558.13 | K | Relay (1.0) Calculated Property |
| Tc | 747.56 | K | Relay (1.0) Calculated Property |
| Tfus | 240.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.824 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.47; 830.40] | 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 | -7.89430e+01 | |||
| Coefficient B | 1.65184e+00 | |||
| Coefficient C | -9.30800e-04 | |||
| Coefficient D | 1.88300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 306.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 397.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 478.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 550.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 614.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 671.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 720.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 762.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 799.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 830.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0097461; 0.0002017] | Pa×s | [262.46; 540.36] |
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 | -1.21714e+01 | |||
| Coefficient B | 1.97909e+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. | 262.46 | |||
| Temperature range, max. | 540.36 | |||
| η | 0.0097461 | Pa×s | 262.46 | Calculated Property |
| η | 0.0044067 | Pa×s | 293.34 | Calculated Property |
| η | 0.0023177 | Pa×s | 324.21 | Calculated Property |
| η | 0.0013631 | Pa×s | 355.09 | Calculated Property |
| η | 0.0008728 | Pa×s | 385.97 | Calculated Property |
| η | 0.0005970 | Pa×s | 416.85 | Calculated Property |
| η | 0.0004303 | Pa×s | 447.72 | Calculated Property |
| η | 0.0003235 | Pa×s | 478.60 | Calculated Property |
| η | 0.0002518 | Pa×s | 509.48 | Calculated Property |
| η | 0.0002017 | Pa×s | 540.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Decane 3-cyclohexyl-, 3-cyclohexyl-.
Sources
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