- InChI
- InChI=1S/C25H29NO5/c1-4-15-26(19(2)27)16-8-17-30-25-14-12-22(31-20(3)28)18-23(25)24(29)13-11-21-9-6-5-7-10-21/h5-10,12,14,16,18H,4,11,13,15,17H2,1-3H3/b16-8-
- InChI Key
- BQYXEDZTMYPJBG-PXNMLYILSA-N
- Formula
- C25H29NO5
- SMILES
-
CCCN(C=CCOc1ccc(OC(C)=O)cc1C(=
O)CCc1ccccc1)C(C)=O - Molecular Weight1
- 423.50
- 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° | -40.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.18 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 4.578 | Crippen Calculated Property | |
| McVol | 337.720 | ml/mol | McGowan Calculated Property |
| Pc | 1293.00 | kPa | Joback Calculated Property |
| Inp | [3050.00; 3050.00] |
|
|
| Inp | 3050.00 | NIST | |
| Inp | 3050.00 | NIST | |
| Tboil | 1057.77 | K | Joback Calculated Property |
| Tc | 1296.69 | K | Joback Calculated Property |
| Tfus | 671.03 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1097.69; 1153.47] | J/mol×K | [1057.77; 1296.69] |
|
| Cp,gas | 1097.69 | J/mol×K | 1057.77 | Joback Calculated Property |
| Cp,gas | 1109.92 | J/mol×K | 1097.59 | Joback Calculated Property |
| Cp,gas | 1120.85 | J/mol×K | 1137.41 | Joback Calculated Property |
| Cp,gas | 1130.59 | J/mol×K | 1177.23 | Joback Calculated Property |
| Cp,gas | 1139.21 | J/mol×K | 1217.05 | Joback Calculated Property |
| Cp,gas | 1146.81 | J/mol×K | 1256.87 | Joback Calculated Property |
| Cp,gas | 1153.47 | J/mol×K | 1296.69 | Joback Calculated Property |
Similar Compounds
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Sources
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