- InChI
- InChI=1S/C19H17N3O6/c1-10(2)28-19(24)17-14(9-20)21-11(3)15(18(23)27-4)16(17)12-6-5-7-13(8-12)22(25)26/h5-8,10H,1-4H3
- InChI Key
- ISSSWUSFUCIVHT-UHFFFAOYSA-N
- Formula
- C19H17N3O6
- SMILES
-
COC(=O)c1c(C)nc(C#N)c(C(=O)OC(
C)C)c1-c1cccc([N+](=O)[O-])c1 - Molecular Weight1
- 383.35
- 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 | 0.9723 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -372.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.189 | Crippen Calculated Property | |
| McVol | 274.710 | ml/mol | McGowan Calculated Property |
| Pc | 1119.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2565.00; 2565.00] |
|
|
| Inp | 2565.00 | NIST | |
| Inp | 2565.00 | NIST | |
| Tboil | 681.06 | K | Relay (1.0) Calculated Property |
| Tc | 1011.50 | K | Relay (1.0) Calculated Property |
| Tfus | 417.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nilvadipine M (dehydro).
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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