- 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° | 31.46 | 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 | 545.19 | K | Relay (1.0) Calculated Property |
| Tfus | 158.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.354 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.59; 232.96] | J/mol×K | [370.46; 558.31] |
|
| Cp,gas | 163.59 | J/mol×K | 370.46 | Joback Calculated Property |
| Cp,gas | 176.97 | J/mol×K | 401.77 | Joback Calculated Property |
| Cp,gas | 189.56 | J/mol×K | 433.08 | Joback Calculated Property |
| Cp,gas | 201.42 | J/mol×K | 464.39 | Joback Calculated Property |
| Cp,gas | 212.58 | J/mol×K | 495.70 | Joback Calculated Property |
| Cp,gas | 223.08 | J/mol×K | 527.00 | Joback Calculated Property |
| Cp,gas | 232.96 | J/mol×K | 558.31 | Joback Calculated Property |
| η | [0.0002686; 0.0008992] | Pa×s | [181.51; 370.46] |
|
| η | 0.0008992 | Pa×s | 181.51 | Joback Calculated Property |
| η | 0.0006335 | Pa×s | 213.00 | Joback Calculated Property |
| η | 0.0004884 | Pa×s | 244.49 | Joback Calculated Property |
| η | 0.0003996 | Pa×s | 275.99 | Joback Calculated Property |
| η | 0.0003407 | Pa×s | 307.48 | Joback Calculated Property |
| η | 0.0002992 | Pa×s | 338.97 | Joback Calculated Property |
| η | 0.0002686 | Pa×s | 370.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-1-butenyl-cyclopropane.
Sources
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