- InChI
- InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3
- InChI Key
- SAHWBARCQUAFSM-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- CCC1CC1C
- Molecular Weight1
- 84.16
- CAS
- 19781-69-2
- Other Names
-
- 1-Methyl-trans-2-ethyl-cyclopropane
- cyclopropane, 1-ethyl-2-methyl-, trans-
- 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 |
|---|---|---|---|
| ΔfH°gas | -39.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.052 | Crippen Calculated Property | |
| McVol | 84.540 | ml/mol | McGowan Calculated Property |
| Inp | [568.00; 568.00] |
|
|
| Inp | 568.00 | NIST | |
| Inp | 568.00 | NIST | |
| Tboil | [331.81; 332.10] | K |
|
| Tboil | 332.10 ± 0.70 | K | NIST |
| Tboil | 331.81 ± 0.30 | K | NIST |
| Tfus | 123.95 | 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 | [111.59; 315.27] | 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 | -4.68690e+01 | |||
| Coefficient B | 6.98240e-01 | |||
| Coefficient C | -4.67400e-04 | |||
| Coefficient D | 1.31300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 147.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 179.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 206.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 231.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 252.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 270.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 287.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 302.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 315.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003196; 0.0002265] | Pa×s | [171.08; 361.68] |
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 | -8.70226e+00 | |||
| Coefficient B | 1.11870e+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. | 171.08 | |||
| Temperature range, max. | 361.68 | |||
| η | 0.0003196 | Pa×s | 171.08 | Calculated Property |
| η | 0.0002974 | Pa×s | 192.26 | Calculated Property |
| η | 0.0002807 | Pa×s | 213.44 | Calculated Property |
| η | 0.0002678 | Pa×s | 234.61 | Calculated Property |
| η | 0.0002574 | Pa×s | 255.79 | Calculated Property |
| η | 0.0002489 | Pa×s | 276.97 | Calculated Property |
| η | 0.0002419 | Pa×s | 298.15 | Calculated Property |
| η | 0.0002359 | Pa×s | 319.33 | Calculated Property |
| η | 0.0002309 | Pa×s | 340.50 | Calculated Property |
| η | 0.0002265 | Pa×s | 361.68 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-1-Ethyl-2-methylcyclopropane.
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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