- InChI
- InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
- InChI Key
- HYIMSNHJOBLJNT-UHFFFAOYSA-N
- Formula
- C17H18N2O6
- SMILES
-
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)
C1c1ccccc1[N+](=O)[O-] - Molecular Weight1
- 346.33
- CAS
- 21829-25-4
- Other Names
-
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester
- 4-(2-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine
- Adalat
- Adalat CC
- Bay a 1040
- Citilat
- Cordipin
- Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
- Dimethyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate
- Dimethyl 4-(2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Fenihidine
- Hexadilat
- Introcar
- Kordafen
- Nifedicor
- Nifedin
- Nifelan
- Nifelat
- Nifensar XL
- Orix
- Oxcord
- Pidilat
- Procardia
- Procardia XL
- Sepamit
- Tibricol
- Zenusin
- dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 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).
- Ttriple : Triple Point Temperature (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 | 0.7489 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.43 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.76; -4.64] |
|
|
| log10WS | -4.64 | Aq. Solubility Prediction | |
| log10WS | -4.76 | Estimated Solubility | |
| logPoct/wat | 2.176 | Crippen Calculated Property | |
| McVol | 249.450 | ml/mol | McGowan Calculated Property |
| Pc | 2088.84 | kPa | Joback Calculated Property |
| Inp | [2536.74; 2536.74] |
|
|
| Inp | 2536.74 | NIST | |
| Inp | 2536.74 | NIST | |
| Tboil | 634.53 | K | Relay (1.0) Calculated Property |
| Tc | 959.66 | K | Relay (1.0) Calculated Property |
| Tfus | 446.65 | K | Determination and correlation thermodynamic models for solid liquid equilibrium of the Nifedipine in pure and mixture organic solvents |
| Ttriple | 317.60 | K | Endothermic features on heating of glasses show that the second glass to liquid transition of water was phenomenologically-mistaken |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.16; 806.24] | J/mol×K | [1010.78; 1263.21] |
|
| Cp,gas | 780.16 | J/mol×K | 1010.78 | Joback Calculated Property |
| Cp,gas | 789.00 | J/mol×K | 1052.85 | Joback Calculated Property |
| Cp,gas | 796.04 | J/mol×K | 1094.92 | Joback Calculated Property |
| Cp,gas | 801.27 | J/mol×K | 1137.00 | Joback Calculated Property |
| Cp,gas | 804.67 | J/mol×K | 1179.07 | Joback Calculated Property |
| Cp,gas | 806.24 | J/mol×K | 1221.14 | Joback Calculated Property |
| Cp,gas | 805.95 | J/mol×K | 1263.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nifedipine.
Mixtures
- Nifedipine + Methyl Alcohol
- Nifedipine + Ethanol
- Nifedipine + 1-Butanol
- Nifedipine + Acetone
- Nifedipine + Acetonitrile
- Nifedipine + Ethyl Acetate
- Nifedipine + Tetrahydrofuran
- Nifedipine + Acetonitrile + Tetrahydrofuran
- Nifedipine + Carbon dioxide
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Determination and correlation thermodynamic models for solid liquid equilibrium of the Nifedipine in pure and mixture organic solvents
- Endothermic features on heating of glasses show that the second glass to liquid transition of water was phenomenologically-mistaken
- Determining the Solubility of Nifedipine and Quinine in Supercritical Fluid Carbon Dioxide Using Continuously Stirred Static Solubility Apparatus Interfaced with Online Supercritical Fluid Chromatography
- Phase solubility studies of poorly soluble drug molecules by using O-phosphorylated calixarenes as drug solubilizing agents
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.