- InChI
- InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15?,18-/m0/s1
- InChI Key
- SVCNNZDUGWLODJ-QJOXTKROSA-N
- Formula
- C18H23NO6
- SMILES
-
C=C1CC(=CC)C(=O)OC2CCN3CC=C(CO
C(=O)C1(O)CO)C23 - Molecular Weight1
- 349.38
- CAS
- 23246-96-0
- 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 | 0.8348 | Relay (1.0) Calculated Property | |
| ΔfG° | -384.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -803.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 135.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.085 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1367.59 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2471.00; 2471.00] |
|
|
| Inp | 2471.00 | NIST | |
| Inp | 2471.00 | NIST | |
| Tboil | 705.28 | K | Relay (1.0) Calculated Property |
| Tc | 1009.66 | K | Relay (1.0) Calculated Property |
| Tfus | 445.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Riddelliine.
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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