- InChI
- InChI=1S/C20H23NO4/c1-14(2)21(15(3)22)12-7-13-24-19-10-11-20(25-16(4)23)18-9-6-5-8-17(18)19/h5-12,14H,13H2,1-4H3/b12-7-
- InChI Key
- MVXNVYDTJSLASO-GHXNOFRVSA-N
- Formula
- C20H23NO4
- SMILES
-
CC(=O)Oc1ccc(OCC=CN(C(C)=O)C(C
)C)c2ccccc12 - Molecular Weight1
- 341.40
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8227 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.914 | Crippen Calculated Property | |
| McVol | 270.000 | ml/mol | McGowan Calculated Property |
| Pc | 1676.91 | kPa | Joback Calculated Property |
| Inp | 2900.00 | NIST | |
| Tboil | 668.20 | K | Relay (1.0) Calculated Property |
| Tc | 930.28 | K | Relay (1.0) Calculated Property |
| Tfus | 400.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.959 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.67; 887.90] | J/mol×K | [881.36; 1102.59] | 
|
| Cp,gas | 816.67 | J/mol×K | 881.36 | Joback Calculated Property |
| Cp,gas | 830.86 | J/mol×K | 918.23 | Joback Calculated Property |
| Cp,gas | 844.03 | J/mol×K | 955.10 | Joback Calculated Property |
| Cp,gas | 856.24 | J/mol×K | 991.97 | Joback Calculated Property |
| Cp,gas | 867.58 | J/mol×K | 1028.85 | Joback Calculated Property |
| Cp,gas | 878.10 | J/mol×K | 1065.72 | Joback Calculated Property |
| Cp,gas | 887.90 | J/mol×K | 1102.59 | Joback Calculated Property |
Similar Compounds
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)
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