- InChI
- InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3
- InChI Key
- XQLWNAFCTODIRK-UHFFFAOYSA-N
- Formula
- C28H40N2O5
- SMILES
-
COc1ccc(CCN(C)CCCC(C#N)(c2cc(O
C)c(OC)c(OC)c2)C(C)C)cc1OC - Molecular Weight1
- 484.63
- CAS
- 16662-47-8
- Other Names
-
- 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile
- Methoxyverapamil
- D-600
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 80.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.67 | kJ/mol | Joback Calculated Property |
| log10WS | -6.12 | Crippen Calculated Property | |
| logPoct/wat | 5.102 | Crippen Calculated Property | |
| McVol | 398.570 | ml/mol | McGowan Calculated Property |
| Pc | 863.02 | kPa | Joback Calculated Property |
| Inp | 3190.00 | NIST | |
| Tboil | 1141.25 | K | Joback Calculated Property |
| Tc | 1399.88 | K | Joback Calculated Property |
| Tfus | 716.79 | K | Joback Calculated Property |
| Vc | 1.504 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1371.59; 1398.67] | J/mol×K | [1141.25; 1399.88] | 
|
| Cp,gas | 1371.59 | J/mol×K | 1141.25 | Joback Calculated Property |
| Cp,gas | 1381.79 | J/mol×K | 1184.36 | Joback Calculated Property |
| Cp,gas | 1389.57 | J/mol×K | 1227.46 | Joback Calculated Property |
| Cp,gas | 1394.95 | J/mol×K | 1270.57 | Joback Calculated Property |
| Cp,gas | 1397.97 | J/mol×K | 1313.67 | Joback Calculated Property |
| Cp,gas | 1398.67 | J/mol×K | 1356.78 | Joback Calculated Property |
| Cp,gas | 1397.08 | J/mol×K | 1399.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Gallopamil.
Sources
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