- InChI
- InChI=1S/C11H20/c1-2-3-4-5-8-11-9-6-7-10-11/h9H,2-8,10H2,1H3
- InChI Key
- ZLWJQGUXFYXEPE-UHFFFAOYSA-N
- Formula
- C11H20
- SMILES
- CCCCCCC1=CCCC1
- Molecular Weight1
- 152.28
- CAS
- 4291-99-0
- Other Names
-
- 1-Hexyl-1-cyclopentene
- 1-Hexylcyclopentene
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | -124.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 ± 0.01 | eV | NIST |
| logPoct/wat | 4.067 | Crippen Calculated Property | |
| McVol | 150.690 | ml/mol | McGowan Calculated Property |
| Inp | [1129.00; 1137.00] |
|
|
| Inp | 1135.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Ip | [1217.00; 1282.00] |
|
|
| Ip | 1263.00 | NIST | |
| Ip | 1266.00 | NIST | |
| Ip | 1270.00 | NIST | |
| Ip | Outlier 1282.00 | NIST | |
| Ip | 1255.00 | NIST | |
| Ip | 1252.00 | NIST | |
| Ip | 1256.00 | NIST | |
| Ip | 1259.00 | NIST | |
| Ip | 1263.00 | NIST | |
| Ip | 1266.00 | NIST | |
| Ip | 1244.00 | NIST | |
| Ip | 1248.00 | NIST | |
| Ip | 1252.00 | NIST | |
| Ip | 1255.70 | NIST | |
| Ip | 1259.30 | NIST | |
| Ip | 1262.90 | NIST | |
| Ip | 1266.00 | NIST | |
| Ip | 1244.20 | NIST | |
| Ip | 1248.20 | NIST | |
| Ip | 1263.00 | NIST | |
| Ip | Outlier 1217.00 | NIST | |
| Tboil | 474.77 | K | Relay (1.0) Calculated Property |
| Tfus | 200.38 | 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 | [199.42; 529.12] | 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 | -5.14550e+01 | |||
| Coefficient B | 1.09152e+00 | |||
| Coefficient C | -6.77640e-04 | |||
| Coefficient D | 1.66700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 199.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 308.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 353.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 428.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 459.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 485.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 508.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 529.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042233; 0.0002850] | Pa×s | [242.15; 466.37] |
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 | -1.10743e+01 | |||
| Coefficient B | 1.35777e+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. | 242.15 | |||
| Temperature range, max. | 466.37 | |||
| η | 0.0042233 | Pa×s | 242.15 | Calculated Property |
| η | 0.0025032 | Pa×s | 267.06 | Calculated Property |
| η | 0.0016221 | Pa×s | 291.98 | Calculated Property |
| η | 0.0011254 | Pa×s | 316.89 | Calculated Property |
| η | 0.0008235 | Pa×s | 341.80 | Calculated Property |
| η | 0.0006288 | Pa×s | 366.72 | Calculated Property |
| η | 0.0004968 | Pa×s | 391.63 | Calculated Property |
| η | 0.0004038 | Pa×s | 416.54 | Calculated Property |
| η | 0.0003359 | Pa×s | 441.46 | Calculated Property |
| η | 0.0002850 | Pa×s | 466.37 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [349.49; 496.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47586e+01 | |||
| Coefficient B | -4.01340e+03 | |||
| Coefficient C | -7.21500e+01 | |||
| Temperature range, min. | 349.49 | |||
| Temperature range, max. | 496.98 | |||
| Pvap | 1.33 | kPa | 349.49 | Calculated Property |
| Pvap | 2.99 | kPa | 365.88 | Calculated Property |
| Pvap | 6.15 | kPa | 382.27 | Calculated Property |
| Pvap | 11.78 | kPa | 398.65 | Calculated Property |
| Pvap | 21.20 | kPa | 415.04 | Calculated Property |
| Pvap | 36.16 | kPa | 431.43 | Calculated Property |
| Pvap | 58.86 | kPa | 447.82 | Calculated Property |
| Pvap | 91.99 | kPa | 464.20 | Calculated Property |
| Pvap | 138.72 | kPa | 480.59 | Calculated Property |
| Pvap | 202.65 | kPa | 496.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentene,1-hexyl-.
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
- The Yaws Handbook of Vapor Pressure
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