- InChI
- InChI=1S/C4H4/c1-2-4-3-1/h1-4H
- InChI Key
- HWEQKSVYKBUIIK-UHFFFAOYSA-N
- Formula
- C4H4
- SMILES
- C1=CC=C1
- Molecular Weight1
- 52.07
- CAS
- 1120-53-2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 161.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 21.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.16; 9.55] | eV |
|
| IE | 8.16 ± 0.03 | eV | NIST |
| IE | 9.55 | eV | NIST |
| IE | 8.20 | eV | NIST |
| IE | 8.50 | eV | NIST |
| IE | 8.24 | eV | NIST |
| logPoct/wat | 1.112 | Crippen Calculated Property | |
| McVol | 47.760 | ml/mol | McGowan Calculated Property |
| Tboil | 305.61 | K | Relay (1.0) Calculated Property |
| Tfus | 215.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [54.67; 91.19] | J/mol×K | [305.12; 496.47] |
|
| Cp,gas | 54.67 | J/mol×K | 305.12 | Joback Calculated Property |
| Cp,gas | 61.96 | J/mol×K | 337.01 | Joback Calculated Property |
| Cp,gas | 68.73 | J/mol×K | 368.90 | Joback Calculated Property |
| Cp,gas | 75.01 | J/mol×K | 400.80 | Joback Calculated Property |
| Cp,gas | 80.82 | J/mol×K | 432.69 | Joback Calculated Property |
| Cp,gas | 86.21 | J/mol×K | 464.58 | Joback Calculated Property |
| Cp,gas | 91.19 | J/mol×K | 496.47 | Joback Calculated Property |
| η | [0.0001818; 0.0007363] | Pa×s | [155.02; 305.12] |
|
| η | 0.0007363 | Pa×s | 155.02 | Joback Calculated Property |
| η | 0.0004960 | Pa×s | 180.04 | Joback Calculated Property |
| η | 0.0003679 | Pa×s | 205.05 | Joback Calculated Property |
| η | 0.0002912 | Pa×s | 230.07 | Joback Calculated Property |
| η | 0.0002413 | Pa×s | 255.09 | Joback Calculated Property |
| η | 0.0002068 | Pa×s | 280.10 | Joback Calculated Property |
| η | 0.0001818 | Pa×s | 305.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutadiene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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