- InChI
- InChI=1S/C16H23NO4/c1-5-20-16(19)17-14(13-9-7-6-8-10-13)15(18)21-12(4)11(2)3/h6-12,14H,5H2,1-4H3,(H,17,19)/t12-,14?/m0/s1
- InChI Key
- WCLRJFYIEARGAI-NBFOIZRFSA-N
- Formula
- C16H23NO4
- SMILES
-
CCOC(=O)NC(C(=O)OC(C)C(C)C)c1c
cccc1 - Molecular Weight1
- 293.36
- 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 | 0.6975 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.062 | Crippen Calculated Property | |
| McVol | 237.400 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | 1936.80 | NIST | |
| Tboil | 595.78 | K | Relay (1.0) Calculated Property |
| Tc | 817.81 | K | Relay (1.0) Calculated Property |
| Tfus | 339.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.841 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [707.27; 780.97] | J/mol×K | [793.59; 1004.49] | 
|
| Cp,gas | 707.27 | J/mol×K | 793.59 | Joback Calculated Property |
| Cp,gas | 722.34 | J/mol×K | 828.74 | Joback Calculated Property |
| Cp,gas | 736.26 | J/mol×K | 863.89 | Joback Calculated Property |
| Cp,gas | 749.06 | J/mol×K | 899.04 | Joback Calculated Property |
| Cp,gas | 760.77 | J/mol×K | 934.19 | Joback Calculated Property |
| Cp,gas | 771.39 | J/mol×K | 969.34 | Joback Calculated Property |
| Cp,gas | 780.97 | J/mol×K | 1004.49 | Joback Calculated Property |
Similar Compounds
Sources
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