- InChI
- InChI=1S/C8H8/c1-3-5-8(4-2)6-7-8/h2H,6-7H2,1H3
- InChI Key
- CRUULDHEGJSVDL-UHFFFAOYSA-N
- Formula
- C8H8
- SMILES
- C#CC1(C#CC)CC1
- Molecular Weight1
- 104.15
- CAS
- 105961-79-3
- 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° | 497.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 443.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.17 | kJ/mol | Joback Calculated Property |
| IE | 8.88 | eV | NIST |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 1.423 | Crippen Calculated Property | |
| McVol | 95.520 | ml/mol | McGowan Calculated Property |
| Pc | 4426.72 | kPa | Joback Calculated Property |
| Tboil | 388.54 | K | Joback Calculated Property |
| Tc | 619.54 | K | Joback Calculated Property |
| Tfus | 374.83 | K | Joback Calculated Property |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.70; 227.19] | J/mol×K | [388.54; 619.54] | 
|
| Cp,gas | 167.70 | J/mol×K | 388.54 | Joback Calculated Property |
| Cp,gas | 180.44 | J/mol×K | 427.04 | Joback Calculated Property |
| Cp,gas | 191.83 | J/mol×K | 465.54 | Joback Calculated Property |
| Cp,gas | 202.04 | J/mol×K | 504.04 | Joback Calculated Property |
| Cp,gas | 211.22 | J/mol×K | 542.54 | Joback Calculated Property |
| Cp,gas | 219.55 | J/mol×K | 581.04 | Joback Calculated Property |
| Cp,gas | 227.19 | J/mol×K | 619.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1-ethynyl-1-(1-propynyl-.
Sources
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