- InChI
- InChI=1S/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h10H,2-9,11H2,1H3
- InChI Key
- FALRQTIXQCGLJF-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- CCCCCCCC1=CCCC1
- Molecular Weight1
- 166.30
- CAS
- 4292-00-6
- Other Names
-
- 1-Heptyl-1-cyclopentene
- 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 | -148.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 ± 0.03 | eV | NIST |
| logPoct/wat | 4.457 | Crippen Calculated Property | |
| McVol | 164.780 | ml/mol | McGowan Calculated Property |
| Inp | [1229.00; 1240.00] |
|
|
| Inp | 1234.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1229.00 | NIST | |
| Ip | [1350.60; 1380.00] |
|
|
| Ip | 1362.00 | NIST | |
| Ip | 1365.00 | NIST | |
| Ip | 1369.00 | NIST | |
| Ip | Outlier 1380.00 | NIST | |
| Ip | 1351.00 | NIST | |
| Ip | 1355.00 | NIST | |
| Ip | 1358.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1366.00 | NIST | |
| Ip | 1369.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1350.60 | NIST | |
| Ip | 1354.60 | NIST | |
| Ip | 1358.10 | NIST | |
| Ip | 1362.20 | NIST | |
| Ip | 1365.60 | NIST | |
| Ip | 1368.60 | NIST | |
| Ip | 1372.40 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1355.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1365.60 | NIST | |
| Tboil | 490.00 ± 15.00 | K | NIST |
| Tfus | 213.41 | 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 | [220.63; 580.72] | 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 | -5.23640e+01 | |||
| Coefficient B | 1.18652e+00 | |||
| Coefficient C | -7.32040e-04 | |||
| Coefficient D | 1.78600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 220.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 339.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 389.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 432.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 470.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 504.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 533.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 558.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 580.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042714; 0.0002842] | Pa×s | [253.42; 480.87] |
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 | -1.11852e+01 | |||
| Coefficient B | 1.45193e+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. | 253.42 | |||
| Temperature range, max. | 480.87 | |||
| η | 0.0042714 | Pa×s | 253.42 | Calculated Property |
| η | 0.0025406 | Pa×s | 278.69 | Calculated Property |
| η | 0.0016475 | Pa×s | 303.96 | Calculated Property |
| η | 0.0011418 | Pa×s | 329.24 | Calculated Property |
| η | 0.0008338 | Pa×s | 354.51 | Calculated Property |
| η | 0.0006349 | Pa×s | 379.78 | Calculated Property |
| η | 0.0005001 | Pa×s | 405.05 | Calculated Property |
| η | 0.0004052 | Pa×s | 430.33 | Calculated Property |
| η | 0.0003360 | Pa×s | 455.60 | Calculated Property |
| η | 0.0002842 | Pa×s | 480.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentene,1-heptyl-.
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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