- InChI
- InChI=1S/C7H12/c1-6(2)7-4-3-5-7/h3-5H2,1-2H3
- InChI Key
- UEVOQCSGNIHNLH-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- CC(C)=C1CCC1
- Molecular Weight1
- 96.17
- CAS
- 1528-22-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | 0.2301 | Relay (... Calculated Property | |
| ΔfG° | 101.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.30 | eV | Relay (... Calculated Property |
| log10WS | -2.72 | Relay (... Calculated Property | |
| logPoct/wat | 2.507 | Crippen Calculated Property | |
| McVol | 94.330 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | [748.00; 748.00] |
|
|
| Inp | 748.00 | NIST | |
| Inp | 748.00 | NIST | |
| Tboil | 380.41 ± 0.30 | K | NIST |
| Tc | 567.19 | K | Relay (... Calculated Property |
| Tfus | 214.82 ± 0.20 | K | NIST |
| Vc | 0.335 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.82; 233.15] | J/mol×K | [381.76; 580.04] |
|
| Cp,gas | 164.82 | J/mol×K | 381.76 | Joback Calculated Property |
| Cp,gas | 177.95 | J/mol×K | 414.81 | Joback Calculated Property |
| Cp,gas | 190.34 | J/mol×K | 447.85 | Joback Calculated Property |
| Cp,gas | 202.01 | J/mol×K | 480.90 | Joback Calculated Property |
| Cp,gas | 213.01 | J/mol×K | 513.95 | Joback Calculated Property |
| Cp,gas | 223.38 | J/mol×K | 546.99 | Joback Calculated Property |
| Cp,gas | 233.15 | J/mol×K | 580.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutane, (1-methylethylidene)-.
Sources
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