- InChI
- InChI=1S/C14H26/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h12H,2-11,13H2,1H3
- InChI Key
- AHNZGLABLPCXKB-UHFFFAOYSA-N
- Formula
- C14H26
- SMILES
- CCCCCCCCC1=CCCCC1
- Molecular Weight1
- 194.36
- CAS
- 15232-87-8
- Other Names
-
- 1-Octyl-1-cyclohexene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -194.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.237 | Crippen Calculated Property | |
| McVol | 192.960 | ml/mol | McGowan Calculated Property |
| I | [1567.00; 1617.00] |
|
|
| I | 1583.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1612.00 | NIST | |
| I | 1617.00 | NIST | |
| I | Outlier 1567.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1586.00 | NIST | |
| I | 1592.00 | NIST | |
| I | 1598.00 | NIST | |
| I | 1603.00 | NIST | |
| I | 1580.50 | NIST | |
| I | 1586.30 | NIST | |
| I | 1592.00 | NIST | |
| I | 1598.10 | NIST | |
| I | 1602.80 | NIST | |
| I | 1583.00 | NIST | |
| Tboil | 531.56 | K | Relay (1.0) Calculated Property |
| Tfus | 220.70 ± 3.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.17; 685.68] | 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 | -5.93030e+01 | |||
| Coefficient B | 1.36692e+00 | |||
| Coefficient C | -7.94440e-04 | |||
| Coefficient D | 1.72500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 332.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 398.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 457.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 509.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 555.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 595.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 629.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 659.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 685.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0265837; 0.0002154] | Pa×s | [220.70; 517.28] |
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 | -1.20263e+01 | |||
| Coefficient B | 1.85362e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 220.70 | |||
| Temperature range, max. | 517.28 | |||
| η | 0.0265837 | Pa×s | 220.70 | Calculated Property |
| η | 0.0089278 | Pa×s | 253.65 | Calculated Property |
| η | 0.0038534 | Pa×s | 286.61 | Calculated Property |
| η | 0.0019779 | Pa×s | 319.56 | Calculated Property |
| η | 0.0011500 | Pa×s | 352.51 | Calculated Property |
| η | 0.0007336 | Pa×s | 385.47 | Calculated Property |
| η | 0.0005023 | Pa×s | 418.42 | Calculated Property |
| η | 0.0003635 | Pa×s | 451.37 | Calculated Property |
| η | 0.0002749 | Pa×s | 484.33 | Calculated Property |
| η | 0.0002154 | Pa×s | 517.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 1-octyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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