- InChI
- InChI=1S/C28H38N2O5/c1-20(2)28(19-29,23-10-12-25(33-5)27(18-23)35-7)14-8-15-30(21(3)31)16-13-22-9-11-24(32-4)26(17-22)34-6/h9-12,17-18,20H,8,13-16H2,1-7H3
- InChI Key
- GICAVWWNADVQFI-UHFFFAOYSA-N
- Formula
- C28H38N2O5
- SMILES
-
COc1ccc(CCN(CCCC(C#N)(c2ccc(OC
)c(OC)c2)C(C)C)C(C)=O)cc1OC - Molecular Weight1
- 482.61
- 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° | 66.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 5.010 | Crippen Calculated Property | |
| McVol | 394.270 | ml/mol | McGowan Calculated Property |
| Pc | 913.29 | kPa | Joback Calculated Property |
| Inp | 3200.00 | NIST | |
| Tboil | 1167.72 | K | Joback Calculated Property |
| Tc | 1432.49 | K | Joback Calculated Property |
| Tfus | 731.97 | K | Joback Calculated Property |
| Vc | 1.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1351.50; 1378.70] | J/mol×K | [1167.72; 1432.49] | 
|
| Cp,gas | 1351.50 | J/mol×K | 1167.72 | Joback Calculated Property |
| Cp,gas | 1361.08 | J/mol×K | 1211.85 | Joback Calculated Property |
| Cp,gas | 1368.51 | J/mol×K | 1255.98 | Joback Calculated Property |
| Cp,gas | 1373.87 | J/mol×K | 1300.11 | Joback Calculated Property |
| Cp,gas | 1377.24 | J/mol×K | 1344.24 | Joback Calculated Property |
| Cp,gas | 1378.70 | J/mol×K | 1388.36 | Joback Calculated Property |
| Cp,gas | 1378.31 | J/mol×K | 1432.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to VERAPAMIL, M(NOR-), AC.
Sources
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