- InChI
- InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3
- InChI Key
- UPKQNCPKPOLASS-UHFFFAOYSA-N
- Formula
- C26H36N2O4
- SMILES
-
COc1ccc(CCNCCCC(C#N)(c2ccc(OC)
c(OC)c2)C(C)C)cc1OC - Molecular Weight1
- 440.57
- CAS
- 67018-85-3
- Other Names
-
- Benzeneacetonitrile, «alpha»-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-«alpha»-(1-methylethyl)-
- 67812-42-4 (chloride)
- 5-[(3,4-dimethoxyphenethyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
- 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).
- 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 | 1.0765 | Relay (1.0) Calculated Property | |
| ΔfG° | 157.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.751 | Crippen Calculated Property | |
| McVol | 364.520 | ml/mol | McGowan Calculated Property |
| Pc | 998.28 | kPa | Joback Calculated Property |
| Tboil | 741.88 | K | Relay (1.0) Calculated Property |
| Tc | 1001.31 | K | Relay (1.0) Calculated Property |
| Tfus | 432.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.279 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1238.44; 1276.80] | J/mol×K | [1105.82; 1353.84] | 
|
| Cp,gas | 1238.44 | J/mol×K | 1105.82 | Joback Calculated Property |
| Cp,gas | 1249.54 | J/mol×K | 1147.16 | Joback Calculated Property |
| Cp,gas | 1258.70 | J/mol×K | 1188.49 | Joback Calculated Property |
| Cp,gas | 1265.96 | J/mol×K | 1229.83 | Joback Calculated Property |
| Cp,gas | 1271.37 | J/mol×K | 1271.16 | Joback Calculated Property |
| Cp,gas | 1274.97 | J/mol×K | 1312.50 | Joback Calculated Property |
| Cp,gas | 1276.80 | J/mol×K | 1353.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Norverapamil.
Sources
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