- InChI
- InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3
- InChI Key
- CXYUCHDVLWUDNS-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- CCC1(C)CC1
- Molecular Weight1
- 84.16
- Other Names
-
- 1-Ethyl-1-methylcyclopropane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 |
|---|---|---|---|
| ω | 0.2373 | Relay (1.0) Calculated Property | |
| ΔfusH° | 3.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.196 | Crippen Calculated Property | |
| McVol | 84.540 | ml/mol | McGowan Calculated Property |
| Pc | 3815.10 | kPa | Joback Calculated Property |
| Inp | [567.00; 567.00] |
|
|
| Inp | 567.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 567.00 | NIST | |
| Inp | 567.00 | NIST | |
| Tboil | [329.90; 329.94] | K |
|
| Tboil | 329.90 ± 1.00 | K | NIST |
| Tboil | 329.94 ± 0.20 | K | NIST |
| Tboil | 329.92 ± 0.30 | K | NIST |
| Tc | 525.24 | K | Relay (1.0) Calculated Property |
| Tfus | [142.92; 142.94] | K |
|
| Tfus | 142.92 ± 0.20 | K | NIST |
| Tfus | 142.94 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [105.39; 315.94] | 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 | -1.02799e+02 | |||
| Coefficient B | 1.01664e+00 | |||
| Coefficient C | -1.05540e-03 | |||
| Coefficient D | 4.57500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 105.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 145.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 203.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 225.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 243.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 260.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 277.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 295.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 315.94 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1-ethyl-1-methyl-.
Sources
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