- InChI
- InChI=1S/C10H6O2/c11-9-6-8(10(9)12)7-4-2-1-3-5-7/h1-6H
- InChI Key
- KLGVPAWHYZDGCX-UHFFFAOYSA-N
- Formula
- C10H6O2
- SMILES
- O=c1cc(-c2ccccc2)c1=O
- Molecular Weight1
- 158.15
- CAS
- 3947-97-5
- Other Names
-
- Cyclobutenedione, phenyl-
- Phenylcyclobutenedione
- 3-phenyl-3-cyclobutene-1,2-dione
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ω | 0.5142 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-4708.46; -4708.46] | kJ/mol |
|
| ΔcH°solid | -4708.46 ± 0.71 | kJ/mol | NIST |
| ΔcH°solid | -4708.46 ± 0.71 | kJ/mol | NIST |
| ΔfG° | -88.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -37.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -84.18 | kJ/mol | NIST |
| ΔsubH° | [54.39; 54.40] | kJ/mol |
|
| ΔsubH° | 54.39 ± 0.42 | kJ/mol | NIST |
| ΔsubH° | 54.40 | kJ/mol | NIST |
| ΔvapH° | 80.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.950 | Crippen Calculated Property | |
| McVol | 115.980 | ml/mol | McGowan Calculated Property |
| Pc | 3660.72 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 568.25 | K | Relay (1.0) Calculated Property |
| Tc | 809.76 | K | Relay (1.0) Calculated Property |
| Tfus | 412.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Bicyclo[6.2.0]decapentaene.](data:image/png;base64,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)
Find more compounds similar to 3-Cyclobutene-1,2-dione, 3-phenyl-.
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
- McGowan Method
- NIST Webbook
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