- InChI
- InChI=1S/C23H25NO3/c1-16(25)24(3)14-6-9-22-21-8-5-4-7-18(21)10-11-19-12-13-20(15-23(19)22)27-17(2)26/h4-5,7-8,10-13,15,22H,6,9,14H2,1-3H3
- InChI Key
- GCFYTYXKKLCBHE-UHFFFAOYSA-N
- Formula
- C23H25NO3
- SMILES
-
CC(=O)Oc1ccc2c(c1)C(CCCN(C)C(C
)=O)c1ccccc1C=C2 - Molecular Weight1
- 363.45
- 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° | 177.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.56 | Crippen Calculated Property | |
| logPoct/wat | 4.486 | Crippen Calculated Property | |
| McVol | 291.240 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | 2895.00 | NIST | |
| Tboil | 942.44 | K | Joback Calculated Property |
| Tc | 1173.24 | K | Joback Calculated Property |
| Tfus | 612.63 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [921.31; 995.11] | J/mol×K | [942.44; 1173.24] | 
|
| Cp,gas | 921.31 | J/mol×K | 942.44 | Joback Calculated Property |
| Cp,gas | 935.91 | J/mol×K | 980.91 | Joback Calculated Property |
| Cp,gas | 949.45 | J/mol×K | 1019.37 | Joback Calculated Property |
| Cp,gas | 962.03 | J/mol×K | 1057.84 | Joback Calculated Property |
| Cp,gas | 973.76 | J/mol×K | 1096.31 | Joback Calculated Property |
| Cp,gas | 984.76 | J/mol×K | 1134.77 | Joback Calculated Property |
| Cp,gas | 995.11 | J/mol×K | 1173.24 | Joback Calculated Property |
Similar Compounds
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Sources
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