- InChI
- InChI=1S/C12H19NO4/c1-8(2)10(12(15)17-6)9(7-13(3)4)11(14)16-5/h7H,1-6H3/b9-7-
- InChI Key
- ONKXNLGOOGTJGA-CLFYSBASSA-N
- Formula
- C12H19NO4
- SMILES
-
COC(=O)C(=CN(C)C)C(C(=O)OC)=C(
C)C - Molecular Weight1
- 241.28
- CAS
- 95533-81-6
- 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).
- 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° | -172.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.82 | kJ/mol | Joback Calculated Property |
| log10WS | -1.34 | Crippen Calculated Property | |
| logPoct/wat | 1.114 | Crippen Calculated Property | |
| McVol | 196.200 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Tboil | 646.94 | K | Joback Calculated Property |
| Tc | 843.58 | K | Joback Calculated Property |
| Tfus | 349.75 | K | Joback Calculated Property |
| Vc | 0.737 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.92; 586.33] | J/mol×K | [646.94; 843.58] | 
|
| Cp,gas | 510.92 | J/mol×K | 646.94 | Joback Calculated Property |
| Cp,gas | 525.37 | J/mol×K | 679.71 | Joback Calculated Property |
| Cp,gas | 539.02 | J/mol×K | 712.49 | Joback Calculated Property |
| Cp,gas | 551.92 | J/mol×K | 745.26 | Joback Calculated Property |
| Cp,gas | 564.08 | J/mol×K | 778.03 | Joback Calculated Property |
| Cp,gas | 575.54 | J/mol×K | 810.81 | Joback Calculated Property |
| Cp,gas | 586.33 | J/mol×K | 843.58 | Joback Calculated Property |
Similar Compounds
Sources
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