- InChI
- InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
- InChI Key
- GLAAQZFBFGEBPS-UHFFFAOYSA-N
- Formula
- C17H14O7
- SMILES
-
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O
)cc3o2)ccc1O - Molecular Weight1
- 330.29
- CAS
- 18085-97-7
- 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 | 1.0948 | Relay (1.0) Calculated Property | |
| ΔfG° | -519.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -796.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 162.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.594 | Crippen Calculated Property | |
| McVol | 224.500 | ml/mol | McGowan Calculated Property |
| Pc | 3619.51 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3202.30; 3202.30] |
|
|
| Inp | 3202.30 | NIST | |
| Inp | 3202.30 | NIST | |
| Tboil | 697.77 | K | Relay (1.0) Calculated Property |
| Tc | 1086.56 | K | Relay (1.0) Calculated Property |
| Tfus | 505.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.823 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Jaceosidin.
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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