- InChI
- InChI=1S/C25H25NO5/c1-16(27)26(4)13-5-6-23-24-14-21(30-17(2)28)11-9-19(24)7-8-20-10-12-22(15-25(20)23)31-18(3)29/h6-12,14-15H,5,13H2,1-4H3
- InChI Key
- OEBSSXYYXMTTLO-UHFFFAOYSA-N
- Formula
- C25H25NO5
- SMILES
-
CC(=O)Oc1ccc2c(c1)C(=CCCN(C)C(
C)=O)c1cc(OC(C)=O)ccc1C=C2 - Molecular Weight1
- 419.47
- 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° | 3.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.93 | Crippen Calculated Property | |
| logPoct/wat | 4.321 | Crippen Calculated Property | |
| McVol | 322.560 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | [2800.00; 2800.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Tboil | 1080.78 | K | Joback Calculated Property |
| Tc | 1326.50 | K | Joback Calculated Property |
| Tfus | 734.45 | K | Joback Calculated Property |
| Vc | 1.218 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.56; 1096.13] | J/mol×K | [1080.78; 1326.50] |
|
| Cp,gas | 1036.56 | J/mol×K | 1080.78 | Joback Calculated Property |
| Cp,gas | 1048.50 | J/mol×K | 1121.73 | Joback Calculated Property |
| Cp,gas | 1059.49 | J/mol×K | 1162.69 | Joback Calculated Property |
| Cp,gas | 1069.63 | J/mol×K | 1203.64 | Joback Calculated Property |
| Cp,gas | 1079.04 | J/mol×K | 1244.59 | Joback Calculated Property |
| Cp,gas | 1087.84 | J/mol×K | 1285.54 | Joback Calculated Property |
| Cp,gas | 1096.13 | J/mol×K | 1326.50 | Joback Calculated Property |
Similar Compounds
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Sources
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