- InChI
- InChI=1S/C11H20/c1-2-3-5-8-11-9-6-4-7-10-11/h9H,2-8,10H2,1H3
- InChI Key
- IOTQTOFPEVQVPG-UHFFFAOYSA-N
- Formula
- C11H20
- SMILES
- CCCCCC1=CCCCC1
- Molecular Weight1
- 152.28
- CAS
- 15232-85-6
- Other Names
-
- 1-Pentyl-1-cyclohexene
- 1-Pentylcyclohexene
- 1-Pentylcyclohexene-1
- 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 | -125.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 ± 0.02 | eV | NIST |
| logPoct/wat | 4.067 | Crippen Calculated Property | |
| McVol | 150.690 | ml/mol | McGowan Calculated Property |
| Inp | [1135.00; 1180.00] |
|
|
| Inp | 1145.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Ip | [1265.80; 1321.00] |
|
|
| Ip | 1292.00 | NIST | |
| Ip | 1302.00 | NIST | |
| Ip | 1306.00 | NIST | |
| Ip | Outlier 1316.00 | NIST | |
| Ip | Outlier 1321.00 | NIST | |
| Ip | 1283.00 | NIST | |
| Ip | 1277.00 | NIST | |
| Ip | 1282.00 | NIST | |
| Ip | 1287.00 | NIST | |
| Ip | 1292.00 | NIST | |
| Ip | 1297.00 | NIST | |
| Ip | 1266.00 | NIST | |
| Ip | 1272.00 | NIST | |
| Ip | 1276.80 | NIST | |
| Ip | 1282.00 | NIST | |
| Ip | 1287.20 | NIST | |
| Ip | 1292.00 | NIST | |
| Ip | 1297.00 | NIST | |
| Ip | 1265.80 | NIST | |
| Ip | 1271.50 | NIST | |
| Ip | 1292.00 | NIST | |
| Ip | 1292.10 | NIST | |
| Ip | 1282.90 | NIST | |
| Ip | 1292.00 | NIST | |
| Ip | 1283.00 | NIST | |
| Ip | 1297.00 | NIST | |
| Ip | 1287.20 | NIST | |
| Tboil | 477.40 ± 4.00 | K | NIST |
| Tfus | 195.92 | 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 | [194.53; 530.90] | 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 | -5.65760e+01 | |||
| Coefficient B | 1.08192e+00 | |||
| Coefficient C | -6.31240e-04 | |||
| Coefficient D | 1.36800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 253.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 305.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 352.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 428.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 460.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 487.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 510.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 530.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061625; 0.0002337] | Pa×s | [238.63; 474.42] |
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 | -1.16733e+01 | |||
| Coefficient B | 1.57114e+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. | 238.63 | |||
| Temperature range, max. | 474.42 | |||
| η | 0.0061625 | Pa×s | 238.63 | Calculated Property |
| η | 0.0032128 | Pa×s | 264.83 | Calculated Property |
| η | 0.0018834 | Pa×s | 291.03 | Calculated Property |
| η | 0.0012059 | Pa×s | 317.23 | Calculated Property |
| η | 0.0008265 | Pa×s | 343.42 | Calculated Property |
| η | 0.0005976 | Pa×s | 369.62 | Calculated Property |
| η | 0.0004510 | Pa×s | 395.82 | Calculated Property |
| η | 0.0003525 | Pa×s | 422.02 | Calculated Property |
| η | 0.0002836 | Pa×s | 448.22 | Calculated Property |
| η | 0.0002337 | Pa×s | 474.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 1-pentyl-.
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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