- InChI
- InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
- InChI Key
- FAIIFDPAEUKBEP-UHFFFAOYSA-N
- Formula
- C19H19N3O6
- SMILES
-
COC(=O)C1=C(C#N)NC(C)=C(C(=O)O
C(C)C)C1c1cccc([N+](=O)[O-])c1 - Molecular Weight1
- 385.37
- CAS
- 75530-68-6
- Other Names
-
- 3,5-Pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl-5-(1-methylethyl) ester
- FK 235
- FR 34235
- 5-Isopropyl3-methyl 2-cyano-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
- Nivadipine
- CL-287,389
- Escor
- Nivadil
- SK&F-102,362
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.8247 | Relay (1.0) Calculated Property | |
| ΔfG° | 43.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.458 | Crippen Calculated Property | |
| McVol | 279.010 | ml/mol | McGowan Calculated Property |
| Pc | 1740.46 | kPa | Joback Calculated Property |
| Inp | 2729.22 | NIST | |
| Tboil | 653.38 | K | Relay (1.0) Calculated Property |
| Tc | 994.07 | K | Relay (1.0) Calculated Property |
| Tfus | 420.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [871.81; 889.77] | J/mol×K | [1158.18; 1424.86] | 
|
| Cp,gas | 885.84 | J/mol×K | 1158.18 | Joback Calculated Property |
| Cp,gas | 888.88 | J/mol×K | 1202.63 | Joback Calculated Property |
| Cp,gas | 889.77 | J/mol×K | 1247.07 | Joback Calculated Property |
| Cp,gas | 888.52 | J/mol×K | 1291.52 | Joback Calculated Property |
| Cp,gas | 885.11 | J/mol×K | 1335.97 | Joback Calculated Property |
| Cp,gas | 879.55 | J/mol×K | 1380.41 | Joback Calculated Property |
| Cp,gas | 871.81 | J/mol×K | 1424.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nilvadipine.
Sources
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