- InChI
- InChI=1S/C12H21NO4/c1-4-6-7-9-16-11(14)10-13(3)12(15)17-8-5-2/h5H,2,4,6-10H2,1,3H3
- InChI Key
- RRAHMMVWLIPAGJ-UHFFFAOYSA-N
- Formula
- C12H21NO4
- SMILES
- C=CCOC(=O)N(C)CC(=O)OCCCCC
- Molecular Weight1
- 243.30
- 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° | -219.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.97 | Crippen Calculated Property | |
| logPoct/wat | 1.974 | Crippen Calculated Property | |
| McVol | 200.500 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | 1592.00 | NIST | |
| Tboil | 635.66 | K | Joback Calculated Property |
| Tc | 814.29 | K | Joback Calculated Property |
| Tfus | 400.03 | K | Joback Calculated Property |
| Vc | 0.754 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.20; 608.30] | J/mol×K | [635.66; 814.29] | 
|
| Cp,gas | 532.20 | J/mol×K | 635.66 | Joback Calculated Property |
| Cp,gas | 546.57 | J/mol×K | 665.43 | Joback Calculated Property |
| Cp,gas | 560.26 | J/mol×K | 695.20 | Joback Calculated Property |
| Cp,gas | 573.26 | J/mol×K | 724.98 | Joback Calculated Property |
| Cp,gas | 585.60 | J/mol×K | 754.75 | Joback Calculated Property |
| Cp,gas | 597.27 | J/mol×K | 784.52 | Joback Calculated Property |
| Cp,gas | 608.30 | J/mol×K | 814.29 | Joback Calculated Property |
Similar Compounds
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Sources
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