- InChI
- InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2
- InChI Key
- NHIDGVQVYHCGEK-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C=CCC1CCCC1
- Molecular Weight1
- 110.20
- Other Names
-
- (2-Propenyl)cyclopentane
- 1-Propene, 3-cyclopentyl-
- 3-Cyclopentyl-1-propene
- 3-Cyclopentylpropene
- Allyl cyclopentane
- Cyclopentane, allyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°liquid : Liquid phase 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | -5083.02 ± 0.96 | kJ/mol | NIST |
| ΔfH°liquid | -66.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 9.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.40; 40.40] | kJ/mol |
|
| ΔvapH° | 40.40 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 40.40 ± 0.20 | kJ/mol | NIST |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.753 | Crippen Calculated Property | |
| McVol | 108.420 | ml/mol | McGowan Calculated Property |
| Inp | [828.80; 828.80] |
|
|
| Inp | 828.80 | NIST | |
| Inp | 828.80 | NIST | |
| Tboil | 400.07 ± 0.20 | K | NIST |
| Tfus | [162.30; 162.65] | K |
|
| Tfus | 162.30 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 162.45 ± 0.06 | K | NIST |
| Tfus | 162.46 ± 0.04 | K | NIST |
| Tfus | 162.48 ± 0.02 | K | NIST |
| Tfus | 162.56 ± 0.15 | K | NIST |
| Tfus | 162.65 ± 0.10 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 202.90 | J/mol×K | 298.15 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.20 | K | 100.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.16; 386.84] | 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 | -6.78590e+01 | |||
| Coefficient B | 8.75500e-01 | |||
| Coefficient C | -5.61700e-04 | |||
| Coefficient D | 1.40900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 218.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 311.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 334.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 354.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 371.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 386.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0080390; 0.0002679] | Pa×s | [162.48; 414.20] |
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 | -1.04207e+01 | |||
| Coefficient B | 9.09460e+02 | |||
| 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. | 162.48 | |||
| Temperature range, max. | 414.20 | |||
| η | 0.0080390 | Pa×s | 162.48 | Calculated Property |
| η | 0.0035337 | Pa×s | 190.45 | Calculated Property |
| η | 0.0019172 | Pa×s | 218.42 | Calculated Property |
| η | 0.0011951 | Pa×s | 246.39 | Calculated Property |
| η | 0.0008203 | Pa×s | 274.36 | Calculated Property |
| η | 0.0006037 | Pa×s | 302.32 | Calculated Property |
| η | 0.0004679 | Pa×s | 330.29 | Calculated Property |
| η | 0.0003774 | Pa×s | 358.26 | Calculated Property |
| η | 0.0003140 | Pa×s | 386.23 | Calculated Property |
| η | 0.0002679 | Pa×s | 414.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 2-propenyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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