- InChI
- InChI=1S/C17H32N2O6/c1-8-23-17(22)19-14(15(20)24-12(6)10(2)3)9-18-16(21)25-13(7)11(4)5/h10-14H,8-9H2,1-7H3,(H,18,21)(H,19,22)/t12-,13-,14?/m1/s1
- InChI Key
- AEQVIJQDQPWIID-ZFXTZCCVSA-N
- Formula
- C17H32N2O6
- SMILES
-
CCOC(=O)NC(CNC(=O)OC(C)C(C)C)C
(=O)OC(C)C(C)C - Molecular Weight1
- 360.45
- 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 | 0.8990 | Relay (1.0) Calculated Property | |
| ΔfG° | -442.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1380.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.460 | Crippen Calculated Property | |
| McVol | 292.670 | ml/mol | McGowan Calculated Property |
| Pc | 1428.30 | kPa | Joback Calculated Property |
| Inp | 2022.20 | NIST | |
| Tboil | 592.53 | K | Relay (1.0) Calculated Property |
| Tc | 806.33 | K | Relay (1.0) Calculated Property |
| Tfus | 333.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.060 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.27; 1027.53] | J/mol×K | [915.37; 1122.94] | 
|
| Cp,gas | 963.27 | J/mol×K | 915.37 | Joback Calculated Property |
| Cp,gas | 977.39 | J/mol×K | 949.96 | Joback Calculated Property |
| Cp,gas | 990.15 | J/mol×K | 984.56 | Joback Calculated Property |
| Cp,gas | 1001.54 | J/mol×K | 1019.15 | Joback Calculated Property |
| Cp,gas | 1011.56 | J/mol×K | 1053.75 | Joback Calculated Property |
| Cp,gas | 1020.23 | J/mol×K | 1088.34 | Joback Calculated Property |
| Cp,gas | 1027.53 | J/mol×K | 1122.94 | Joback Calculated Property |
Similar Compounds
Sources
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