- InChI
- InChI=1S/C29H40N2O6/c1-20(2)29(19-30,23-17-26(35-6)28(37-8)27(18-23)36-7)13-9-14-31(21(3)32)15-12-22-10-11-24(33-4)25(16-22)34-5/h10-11,16-18,20H,9,12-15H2,1-8H3
- InChI Key
- BWALSGMXGXBBJT-UHFFFAOYSA-N
- Formula
- C29H40N2O6
- SMILES
-
COc1ccc(CCN(CCCC(C#N)(c2cc(OC)
c(OC)c(OC)c2)C(C)C)C(C)=O)cc1O C - Molecular Weight1
- 512.64
- 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° | -39.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.64 | kJ/mol | Joback Calculated Property |
| log10WS | -6.32 | Crippen Calculated Property | |
| logPoct/wat | 5.018 | Crippen Calculated Property | |
| McVol | 414.230 | ml/mol | McGowan Calculated Property |
| Pc | 846.53 | kPa | Joback Calculated Property |
| Inp | 3520.00 | NIST | |
| Tboil | 1218.00 | K | Joback Calculated Property |
| Tc | 1502.22 | K | Joback Calculated Property |
| Tfus | 777.99 | K | Joback Calculated Property |
| Vc | 1.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1420.61; 1437.36] | J/mol×K | [1218.00; 1502.22] | 
|
| Cp,gas | 1428.33 | J/mol×K | 1218.00 | Joback Calculated Property |
| Cp,gas | 1434.29 | J/mol×K | 1265.37 | Joback Calculated Property |
| Cp,gas | 1437.28 | J/mol×K | 1312.74 | Joback Calculated Property |
| Cp,gas | 1437.36 | J/mol×K | 1360.11 | Joback Calculated Property |
| Cp,gas | 1434.57 | J/mol×K | 1407.48 | Joback Calculated Property |
| Cp,gas | 1428.97 | J/mol×K | 1454.85 | Joback Calculated Property |
| Cp,gas | 1420.61 | J/mol×K | 1502.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to GALLOPAMIL, M(NOR-), AC.
Sources
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