- InChI
- InChI=1S/C14H10O4/c1-17-14(16)11-10-6-7-18-13(10)9-5-3-2-4-8(9)12(11)15/h2-7,15H,1H3
- InChI Key
- AFMYCYWCHKTNNE-UHFFFAOYSA-N
- Formula
- C14H10O4
- SMILES
- COC(=O)c1c(O)c2ccccc2c2occc12
- Molecular Weight1
- 242.23
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7452 | Relay (1.0) Calculated Property | |
| ΔfG° | -205.12 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -432.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.078 | Crippen Calculated Property | |
| McVol | 168.920 | ml/mol | McGowan Calculated Property |
| Pc | 3179.09 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | 2080.00 | NIST | |
| Tboil | 639.84 | K | Relay (1.0) Calculated Property |
| Tc | 961.83 | K | Relay (1.0) Calculated Property |
| Tfus | 414.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Furomollugin.
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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