- InChI
- InChI=1S/C4H6/c1-4-2-3-4/h1-3H2
- InChI Key
- XSGHLZBESSREDT-UHFFFAOYSA-N
- Formula
- C4H6
- SMILES
- C=C1CC1
- Molecular Weight1
- 54.09
- CAS
- 6142-73-0
- Other Names
-
- Cyclopropane, methylene-
- ΔcH°gas : Standard gas 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).
- 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 |
|---|---|---|---|
| ΔcH°gas | -2632.00 ± 1.90 | kJ/mol | NIST |
| ΔfH°gas | 201.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 2.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 22.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.57; 9.60] | eV |
|
| IE | 9.60 ± 0.10 | eV | NIST |
| IE | 9.57 | eV | NIST |
| logPoct/wat | 1.336 | Crippen Calculated Property | |
| McVol | 52.060 | ml/mol | McGowan Calculated Property |
| Inp | [432.00; 432.50] |
|
|
| Inp | 432.50 | NIST | |
| Inp | 432.00 | NIST | |
| Inp | 432.50 | NIST | |
| Tboil | 279.82 | K | Relay (1.0) Calculated Property |
| Tfus | [134.50; 137.00] | K |
|
| Tfus | 134.50 ± 1.00 | K | NIST |
| Tfus | 137.00 ± 1.00 | 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 | [61.14; 166.86] | 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 | -3.46400e+01 | |||
| Coefficient B | 4.43700e-01 | |||
| Coefficient C | -3.77000e-04 | |||
| Coefficient D | 1.34800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 61.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 81.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 98.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 112.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 124.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 134.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 143.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 151.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 159.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 166.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005693; 0.0001761] | Pa×s | [135.75; 337.39] |
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 | -9.43431e+00 | |||
| Coefficient B | 2.66510e+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. | 135.75 | |||
| Temperature range, max. | 337.39 | |||
| η | 0.0005693 | Pa×s | 135.75 | Calculated Property |
| η | 0.0004311 | Pa×s | 158.15 | Calculated Property |
| η | 0.0003497 | Pa×s | 180.56 | Calculated Property |
| η | 0.0002972 | Pa×s | 202.96 | Calculated Property |
| η | 0.0002608 | Pa×s | 225.37 | Calculated Property |
| η | 0.0002343 | Pa×s | 247.77 | Calculated Property |
| η | 0.0002144 | Pa×s | 270.18 | Calculated Property |
| η | 0.0001988 | Pa×s | 292.58 | Calculated Property |
| η | 0.0001863 | Pa×s | 314.99 | Calculated Property |
| η | 0.0001761 | Pa×s | 337.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Methylenecyclopropane.
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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