- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [46.79; 137.95] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.64900e+01 | |||
| Coefficient B | 4.39600e-01 | |||
| Coefficient C | -3.97560e-04 | |||
| Coefficient D | 1.42400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 46.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 65.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 81.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 93.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 104.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 113.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 120.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 126.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 132.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 137.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007363; 0.0001524] | Pa×s | [155.02; 347.53] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.00573e+01 | |||
| Coefficient B | 4.40780e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 155.02 | |||
| Temperature range, max. | 347.53 | |||
| η | 0.0007363 | Pa×s | 155.02 | Calculated Property |
| η | 0.0005216 | Pa×s | 176.41 | Calculated Property |
| η | 0.0003981 | Pa×s | 197.80 | Calculated Property |
| η | 0.0003203 | Pa×s | 219.19 | Calculated Property |
| η | 0.0002678 | Pa×s | 240.58 | Calculated Property |
| η | 0.0002306 | Pa×s | 261.97 | Calculated Property |
| η | 0.0002031 | Pa×s | 283.36 | Calculated Property |
| η | 0.0001821 | Pa×s | 304.75 | Calculated Property |
| η | 0.0001656 | Pa×s | 326.14 | Calculated Property |
| η | 0.0001524 | Pa×s | 347.53 | 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
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