- InChI
- InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2
- InChI Key
- NFJPEKRRHIYYES-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- C=C1CCCC1
- Molecular Weight1
- 82.15
- Other Names
-
- Methylenecyclopentane
- 1-Methylenecyclopentane
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 832.40 | kJ/mol | NIST |
| BasG | 803.50 | kJ/mol | NIST |
| ΔcH°liquid | -3770.10 ± 0.79 | kJ/mol | NIST |
| ΔfH°gas | 10.20 | kJ/mol | NIST |
| ΔfH°liquid | -20.20 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 3.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.20; 9.26] | eV |
|
| IE | 8.70 ± 0.05 | eV | NIST |
| IE | 8.96 ± 0.02 | eV | NIST |
| IE | Outlier 7.20 | eV | NIST |
| IE | 9.26 ± 0.05 | eV | NIST |
| IE | 8.55 ± 0.01 | eV | NIST |
| IE | 8.51 ± 0.01 | eV | NIST |
| IE | 8.94 ± 0.01 | eV | NIST |
| IE | 9.05 ± 0.02 | eV | NIST |
| IE | 9.14 | eV | NIST |
| logPoct/wat | 2.117 | Crippen Calculated Property | |
| McVol | 80.240 | ml/mol | McGowan Calculated Property |
| Inp | [650.00; 657.00] |
|
|
| Inp | 657.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 654.00 | NIST | |
| Tboil | [345.00; 353.00] | K |
|
| Tboil | 348.70 | K | NIST |
| Tboil | 350.20 ± 5.00 | K | NIST |
| Tboil | 351.65 ± 5.00 | K | NIST |
| Tboil | 349.20 ± 1.00 | K | NIST |
| Tboil | 350.00 ± 4.00 | K | NIST |
| Tboil | 347.00 ± 4.00 | K | NIST |
| Tboil | 349.00 ± 3.00 | K | NIST |
| Tboil | 349.00 ± 4.00 | K | NIST |
| Tboil | 347.00 ± 4.00 | K | NIST |
| Tboil | Outlier 345.00 ± 1.00 | K | NIST |
| Tboil | 348.90 ± 1.00 | K | NIST |
| Tboil | 348.50 ± 1.00 | K | NIST |
| Tboil | 349.00 ± 3.00 | K | NIST |
| Tboil | Outlier 353.00 ± 6.00 | K | NIST |
| Tfus | [145.32; 146.00] | K |
|
| Tfus | 145.32 ± 0.50 | K | NIST |
| Tfus | 146.00 ± 0.15 | K | NIST |
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 | [93.78; 273.60] | 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 | -4.67000e+01 | |||
| Coefficient B | 6.14500e-01 | |||
| Coefficient C | -3.93000e-04 | |||
| Coefficient D | 9.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 93.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 125.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 154.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 179.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 200.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 219.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 236.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 250.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 262.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 273.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0104594; 0.0002393] | Pa×s | [145.66; 387.55] |
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 | -1.06125e+01 | |||
| Coefficient B | 8.81570e+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. | 145.66 | |||
| Temperature range, max. | 387.55 | |||
| η | 0.0104594 | Pa×s | 145.66 | Calculated Property |
| η | 0.0040744 | Pa×s | 172.54 | Calculated Property |
| η | 0.0020464 | Pa×s | 199.41 | Calculated Property |
| η | 0.0012105 | Pa×s | 226.29 | Calculated Property |
| η | 0.0008005 | Pa×s | 253.17 | Calculated Property |
| η | 0.0005731 | Pa×s | 280.04 | Calculated Property |
| η | 0.0004350 | Pa×s | 306.92 | Calculated Property |
| η | 0.0003452 | Pa×s | 333.79 | Calculated Property |
| η | 0.0002835 | Pa×s | 360.67 | Calculated Property |
| η | 0.0002393 | Pa×s | 387.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, methylene-.
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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