- InChI
- InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
- InChI Key
- BNFXSCXEKBQBRB-ARJAWSKDSA-N
- Formula
- C7H12
- SMILES
- CCC=CC1CC1
- Molecular Weight1
- 96.17
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2580 | Relay (1.0) Calculated Property | |
| ΔfG° | 149.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 6.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.363 | Crippen Calculated Property | |
| McVol | 94.330 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Inp | [728.40; 731.00] |
|
|
| Inp | 731.00 | NIST | |
| Inp | 728.40 | NIST | |
| Inp | 728.80 | NIST | |
| Inp | 731.00 | NIST | |
| Tboil | 368.06 | K | Relay (1.0) Calculated Property |
| Tc | 551.95 | K | Relay (1.0) Calculated Property |
| Tfus | 156.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.53; 329.62] | 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 | -6.78990e+01 | |||
| Coefficient B | 8.39720e-01 | |||
| Coefficient C | -6.61000e-04 | |||
| Coefficient D | 2.18800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 116.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 156.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 190.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 219.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 244.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 265.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 284.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 300.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 315.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 329.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008992; 0.0002527] | Pa×s | [181.51; 391.03] |
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 | -9.38285e+00 | |||
| Coefficient B | 4.29960e+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. | 181.51 | |||
| Temperature range, max. | 391.03 | |||
| η | 0.0008992 | Pa×s | 181.51 | Calculated Property |
| η | 0.0006869 | Pa×s | 204.79 | Calculated Property |
| η | 0.0005544 | Pa×s | 228.07 | Calculated Property |
| η | 0.0004656 | Pa×s | 251.35 | Calculated Property |
| η | 0.0004027 | Pa×s | 274.63 | Calculated Property |
| η | 0.0003563 | Pa×s | 297.91 | Calculated Property |
| η | 0.0003210 | Pa×s | 321.19 | Calculated Property |
| η | 0.0002932 | Pa×s | 344.47 | Calculated Property |
| η | 0.0002709 | Pa×s | 367.75 | Calculated Property |
| η | 0.0002527 | Pa×s | 391.03 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-1-butenyl-cyclopropane.
Sources
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