- InChI
- InChI=1S/C22H26N2O4/c1-4-15-13-23-9-7-16(15)11-21(23)22(28-14(2)25)18-8-10-24(26)20-6-5-17(27-3)12-19(18)20/h4-6,8,10,12,15-16,21-22H,1,7,9,11,13H2,2-3H3/t15?,16?,21?,22-/m0/s1
- InChI Key
- PKNXGPMPZBOFTH-CWFBCUTFSA-N
- Formula
- C22H26N2O4
- SMILES
-
C=CC1CN2CCC1CC2C(OC(C)=O)c1cc[
n+]([O-])c2ccc(OC)cc12 - Molecular Weight1
- 382.45
- 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 | 0.7556 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -276.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 134.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.982 | Crippen Calculated Property | |
| McVol | 290.740 | ml/mol | McGowan Calculated Property |
| Pc | 1285.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2935.00 | NIST | |
| Tboil | 726.23 | K | Relay (1.0) Calculated Property |
| Tc | 1032.41 | K | Relay (1.0) Calculated Property |
| Tfus | 448.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.000 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to QUINIDINE, M(N-OXIDE), AC.
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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