- InChI
- InChI=1S/C13H24/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h11H,2-10,12H2,1H3
- InChI Key
- XDUFGMTUKHRHSO-UHFFFAOYSA-N
- Formula
- C13H24
- SMILES
- CCCCCCCC1=CCCCC1
- Molecular Weight1
- 180.33
- CAS
- 15232-86-7
- Other Names
-
- 1-Heptyl-1-cyclohexene
- Cyclohexene,1-heptyl-
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | -172.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 ± 0.02 | eV | NIST |
| logPoct/wat | 4.847 | Crippen Calculated Property | |
| McVol | 178.870 | ml/mol | McGowan Calculated Property |
| Inp | [1342.00; 1344.00] |
|
|
| Inp | 1344.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Ip | [1470.00; 1518.00] |
|
|
| Ip | 1486.00 | NIST | |
| Ip | 1498.00 | NIST | |
| Ip | 1501.00 | NIST | |
| Ip | 1513.00 | NIST | |
| Ip | Outlier 1518.00 | NIST | |
| Ip | 1470.00 | NIST | |
| Ip | 1477.00 | NIST | |
| Ip | 1482.00 | NIST | |
| Ip | 1488.00 | NIST | |
| Ip | 1493.00 | NIST | |
| Ip | 1499.00 | NIST | |
| Ip | 1504.00 | NIST | |
| Ip | 1476.80 | NIST | |
| Ip | 1482.50 | NIST | |
| Ip | 1488.20 | NIST | |
| Ip | 1493.40 | NIST | |
| Ip | 1499.10 | NIST | |
| Ip | 1503.90 | NIST | |
| Ip | 1486.00 | NIST | |
| Tboil | 515.33 | K | Relay (1.0) Calculated Property |
| Tfus | 220.19 | K | Relay (1.0) Calculated Property |
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 | [236.95; 634.09] | 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 | -5.83940e+01 | |||
| Coefficient B | 1.27192e+00 | |||
| Coefficient C | -7.40040e-04 | |||
| Coefficient D | 1.60600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 236.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 306.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 367.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 422.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 470.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 513.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 550.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 582.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 610.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 634.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057111; 0.0002240] | Pa×s | [261.17; 502.95] |
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 | -1.19022e+01 | |||
| Coefficient B | 1.75946e+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. | 261.17 | |||
| Temperature range, max. | 502.95 | |||
| η | 0.0057111 | Pa×s | 261.17 | Calculated Property |
| η | 0.0030468 | Pa×s | 288.03 | Calculated Property |
| η | 0.0018093 | Pa×s | 314.90 | Calculated Property |
| η | 0.0011662 | Pa×s | 341.76 | Calculated Property |
| η | 0.0008014 | Pa×s | 368.63 | Calculated Property |
| η | 0.0005795 | Pa×s | 395.49 | Calculated Property |
| η | 0.0004367 | Pa×s | 422.35 | Calculated Property |
| η | 0.0003404 | Pa×s | 449.22 | Calculated Property |
| η | 0.0002729 | Pa×s | 476.08 | Calculated Property |
| η | 0.0002240 | Pa×s | 502.95 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptylcyclohexene.
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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