- InChI
- InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
- InChI Key
- SGTNSNPWRIOYBX-UHFFFAOYSA-N
- Formula
- C27H38N2O4
- SMILES
-
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(
OC)c(OC)c2)C(C)C)cc1OC - Molecular Weight1
- 454.60
- CAS
- 52-53-9
- Other Names
-
- 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
- Benzeneacetonitrile, «alpha»-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-«alpha»-(1-methylethyl)-
- Benzeneacetonitrile, «alpha»-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-«alpha»-(1-methylethyl)-
- CP-16533-1
- D-365
- Dilacoran
- Iproveratril
- Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-
- Vasolan
- «alpha»-((N-Methyl-N-homoveratryl)-«gamma»-aminopropyl)-3,4-dimethoxyphenylacetonitrile
- «alpha»-((N-Methyl-N-homoveratryl)-«gamma»-aminopropyl)-3,4-dimethoxyphenylacetonitrile
- 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° | 187.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Aq. Sol... | |
| logPoct/wat | 5.093 | Crippen Calculated Property | |
| McVol | 378.610 | ml/mol | McGowan Calculated Property |
| Pc | 931.78 | kPa | Joback Calculated Property |
| Inp | [3150.00; 3161.00] |
|
|
| Inp | 3161.00 | NIST | |
| Inp | 3150.00 | NIST | |
| Inp | 3150.00 | NIST | |
| Tboil | 1090.97 | K | Joback Calculated Property |
| Tc | 1335.66 | K | Joback Calculated Property |
| Tfus | 469.48 | K | Aq. Sol... |
| Vc | 1.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1288.74; 1337.68] | J/mol×K | [1090.97; 1335.66] |
|
| Cp,gas | 1288.74 | J/mol×K | 1090.97 | Joback Calculated Property |
| Cp,gas | 1301.36 | J/mol×K | 1131.75 | Joback Calculated Property |
| Cp,gas | 1312.12 | J/mol×K | 1172.53 | Joback Calculated Property |
| Cp,gas | 1321.07 | J/mol×K | 1213.32 | Joback Calculated Property |
| Cp,gas | 1328.27 | J/mol×K | 1254.10 | Joback Calculated Property |
| Cp,gas | 1333.79 | J/mol×K | 1294.88 | Joback Calculated Property |
| Cp,gas | 1337.68 | J/mol×K | 1335.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Verapamil.
Sources
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