- InChI
- InChI=1S/C14H19NO5/c1-9(16)15-6-5-10-7-13(19-3)11(14(17)20-4)8-12(10)18-2/h7-8H,5-6H2,1-4H3,(H,15,16)
- InChI Key
- ZQINOUKYNVCRBR-UHFFFAOYSA-N
- Formula
- C14H19NO5
- SMILES
-
COC(=O)c1cc(OC)c(CCNC(C)=O)cc1
OC - Molecular Weight1
- 281.30
- 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 | 0.8506 | Relay (... Calculated Property | |
| ΔfG° | -332.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.75 | kJ/mol | Relay (... Calculated Property |
| IE | 8.13 | eV | Relay (... Calculated Property |
| log10WS | -2.29 | Relay (... Calculated Property | |
| logPoct/wat | 1.169 | Crippen Calculated Property | |
| McVol | 215.090 | ml/mol | McGowan Calculated Property |
| Pc | 2088.84 | kPa | Joback Calculated Property |
| Inp | 2600.00 | NIST | |
| Tboil | 626.52 | K | Relay (... Calculated Property |
| Tc | 852.94 | K | Relay (... Calculated Property |
| Tfus | 384.43 | K | Relay (... Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.36; 682.97] | J/mol×K | [786.51; 993.58] | 
|
| Cp,gas | 618.36 | J/mol×K | 786.51 | Joback Calculated Property |
| Cp,gas | 631.61 | J/mol×K | 821.02 | Joback Calculated Property |
| Cp,gas | 643.89 | J/mol×K | 855.53 | Joback Calculated Property |
| Cp,gas | 655.19 | J/mol×K | 890.05 | Joback Calculated Property |
| Cp,gas | 665.47 | J/mol×K | 924.56 | Joback Calculated Property |
| Cp,gas | 674.74 | J/mol×K | 959.07 | Joback Calculated Property |
| Cp,gas | 682.97 | J/mol×K | 993.58 | Joback Calculated Property |
Similar Compounds
Sources
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