- InChI
- InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
- InChI Key
- PWEBUXCTKOWPCW-UHFFFAOYSA-N
- Formula
- C4H2O4
- SMILES
- O=c1c(O)c(O)c1=O
- Molecular Weight1
- 114.06
- CAS
- 2892-51-5
- Other Names
-
- Squaric acid
- Cyclobutenedione, dihydroxy-
- Quadratic acid
- 1,2-Dihydroxycyclobutene-3,4-dione
- 1,2-Diketo-3,4-dihydroxycyclobutene
- 3,4-Dihydroxy-3-cyclobutene-1,2-dione
- 1,2-Dihydroxy cyclobutenedione
- 1,2-Dihydroxy-3,4-cyclobutenedione
- Cyclobutene-1,2-dione, 3,4-dihydroxy-
- 3,4-Dihydroxy-cyclobutene-1,2-dione
- NSC 125692
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7200 | Relay (... Calculated Property | |
| ΔfG° | -502.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -501.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.93 | kJ/mol | Relay (... Calculated Property |
| IE | 9.79 | eV | Relay (... Calculated Property |
| log10WS | -0.68 | Relay (... Calculated Property | |
| logPoct/wat | -1.306 | Crippen Calculated Property | |
| McVol | 66.940 | ml/mol | McGowan Calculated Property |
| Pc | 6518.71 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 499.19 | K | Relay (... Calculated Property |
| Tc | 797.07 | K | Relay (... Calculated Property |
| Tfus | 428.40 | K | Relay (... Calculated Property |
| Vc | 0.250 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclobutene-1,2-dione, 3,4-dihydroxy-.
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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