- InChI
- InChI=1S/C15H21NO4/c1-4-5-9-20-14(17)11-16(2)15(18)12-7-6-8-13(10-12)19-3/h6-8,10H,4-5,9,11H2,1-3H3
- InChI Key
- YCBHFKFYRAHRBE-UHFFFAOYSA-N
- Formula
- C15H21NO4
- SMILES
-
CCCCOC(=O)CN(C)C(=O)c1cccc(OC)
c1 - Molecular Weight1
- 279.33
- 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 | 0.8089 | Relay (... Calculated Property | |
| ΔfG° | -178.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.74 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.24 | eV | Relay (... Calculated Property |
| log10WS | -2.97 | Relay (... Calculated Property | |
| logPoct/wat | 2.110 | Crippen Calculated Property | |
| McVol | 223.310 | ml/mol | McGowan Calculated Property |
| Pc | 1971.80 | kPa | Joback Calculated Property |
| Inp | 2224.00 | NIST | |
| Tboil | 624.34 | K | Relay (... Calculated Property |
| Tc | 819.22 | K | Relay (... Calculated Property |
| Tfus | 299.39 | K | Relay (... Calculated Property |
| Vc | 0.823 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.65; 708.89] | J/mol×K | [739.28; 941.06] | 
|
| Cp,gas | 633.65 | J/mol×K | 739.28 | Joback Calculated Property |
| Cp,gas | 648.56 | J/mol×K | 772.91 | Joback Calculated Property |
| Cp,gas | 662.50 | J/mol×K | 806.54 | Joback Calculated Property |
| Cp,gas | 675.48 | J/mol×K | 840.17 | Joback Calculated Property |
| Cp,gas | 687.53 | J/mol×K | 873.80 | Joback Calculated Property |
| Cp,gas | 698.66 | J/mol×K | 907.43 | Joback Calculated Property |
| Cp,gas | 708.89 | J/mol×K | 941.06 | Joback Calculated Property |
Similar Compounds
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Sources
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