- InChI
- InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3
- InChI Key
- CJKIVLPJDVFXJP-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- CC(C)(C)C1CC1
- Molecular Weight1
- 98.19
- Other Names
-
- Cyclopropane, 1,1-dimethylethyl
- ω : Acentric Factor.
- 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).
- 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 | 0.2530 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -65.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.442 | Crippen Calculated Property | |
| McVol | 98.630 | ml/mol | McGowan Calculated Property |
| Pc | 3299.15 | kPa | Joback Calculated Property |
| Inp | [627.00; 627.40] |
|
|
| Inp | 627.00 | NIST | |
| Inp | 627.40 | NIST | |
| Tboil | 363.05 | K | Relay (1.0) Calculated Property |
| Tc | 558.76 | K | Relay (1.0) Calculated Property |
| Tfus | 243.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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 | [129.08; 361.67] | 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 | -7.81900e+01 | |||
| Coefficient B | 9.45560e-01 | |||
| Coefficient C | -7.49000e-04 | |||
| Coefficient D | 2.43300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 129.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 173.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 243.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 270.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 294.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 314.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 331.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 347.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 361.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021615; 0.0003289] | Pa×s | [189.01; 387.77] |
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 | -9.81011e+00 | |||
| Coefficient B | 6.94260e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 189.01 | |||
| Temperature range, max. | 387.77 | |||
| η | 0.0021615 | Pa×s | 189.01 | Calculated Property |
| η | 0.0014718 | Pa×s | 211.09 | Calculated Property |
| η | 0.0010779 | Pa×s | 233.18 | Calculated Property |
| η | 0.0008331 | Pa×s | 255.26 | Calculated Property |
| η | 0.0006709 | Pa×s | 277.35 | Calculated Property |
| η | 0.0005578 | Pa×s | 299.43 | Calculated Property |
| η | 0.0004757 | Pa×s | 321.52 | Calculated Property |
| η | 0.0004140 | Pa×s | 343.60 | Calculated Property |
| η | 0.0003665 | Pa×s | 365.69 | Calculated Property |
| η | 0.0003289 | Pa×s | 387.77 | Calculated Property |
Similar Compounds
Find more compounds similar to (1,1-dimethylethyl)-cyclopropane.
Sources
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