- InChI
- InChI=1S/C7H6/c1-3-6-5-7(6)4-2/h1-2,6-7H,5H2/t6-,7+
- InChI Key
- WFICLMYHCKJIFK-KNVOCYPGSA-N
- Formula
- C7H6
- SMILES
- C#CC1CC1C#C
- Molecular Weight1
- 90.12
- CAS
- 59502-33-9
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 507.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 448.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.50 | kJ/mol | Joback Calculated Property |
| IE | 8.90 ± 0.02 | eV | NIST |
| log10WS | -1.75 | Crippen Calculated Property | |
| logPoct/wat | 0.889 | Crippen Calculated Property | |
| McVol | 81.430 | ml/mol | McGowan Calculated Property |
| Pc | 4462.28 | kPa | Joback Calculated Property |
| Tboil | 341.87 | K | Joback Calculated Property |
| Tc | 547.56 | K | Joback Calculated Property |
| Tfus | 276.29 | K | Joback Calculated Property |
| Vc | 0.307 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.91; 186.81] | J/mol×K | [341.87; 547.56] | 
|
| Cp,gas | 133.91 | J/mol×K | 341.87 | Joback Calculated Property |
| Cp,gas | 144.40 | J/mol×K | 376.15 | Joback Calculated Property |
| Cp,gas | 154.17 | J/mol×K | 410.43 | Joback Calculated Property |
| Cp,gas | 163.25 | J/mol×K | 444.72 | Joback Calculated Property |
| Cp,gas | 171.69 | J/mol×K | 479.00 | Joback Calculated Property |
| Cp,gas | 179.53 | J/mol×K | 513.28 | Joback Calculated Property |
| Cp,gas | 186.81 | J/mol×K | 547.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane,cis-1,2-diethynyl-.
Sources
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