- InChI
- InChI=1S/C15H21NO4/c1-5-12-8-14(19-4)13(6-7-16-10(2)17)9-15(12)20-11(3)18/h8-9H,5-7H2,1-4H3,(H,16,17)
- InChI Key
- WKATUUYRHZTMMY-UHFFFAOYSA-N
- Formula
- C15H21NO4
- SMILES
-
CCc1cc(OC)c(CCNC(C)=O)cc1OC(C)
=O - Molecular Weight1
- 279.33
- 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° | -219.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 1.861 | Crippen Calculated Property | |
| McVol | 223.310 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | 2240.00 | NIST | |
| Tboil | 786.97 | K | Joback Calculated Property |
| Tc | 993.33 | K | Joback Calculated Property |
| Tfus | 519.77 | K | Joback Calculated Property |
| Vc | 0.851 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [646.71; 715.82] | J/mol×K | [786.97; 993.33] | 
|
| Cp,gas | 646.71 | J/mol×K | 786.97 | Joback Calculated Property |
| Cp,gas | 660.65 | J/mol×K | 821.36 | Joback Calculated Property |
| Cp,gas | 673.62 | J/mol×K | 855.76 | Joback Calculated Property |
| Cp,gas | 685.62 | J/mol×K | 890.15 | Joback Calculated Property |
| Cp,gas | 696.65 | J/mol×K | 924.55 | Joback Calculated Property |
| Cp,gas | 706.72 | J/mol×K | 958.94 | Joback Calculated Property |
| Cp,gas | 715.82 | J/mol×K | 993.33 | Joback Calculated Property |
Similar Compounds
Sources
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