- InChI
- InChI=1S/C20H29NO7/c1-6-25-19(23)21-17(18(22)27-14(5)13(3)4)12-15-8-10-16(11-9-15)28-20(24)26-7-2/h8-11,13-14,17H,6-7,12H2,1-5H3,(H,21,23)/t14-,17?/m1/s1
- InChI Key
- WBYTUPSDDYAAMZ-XPCCGILXSA-N
- Formula
- C20H29NO7
- SMILES
-
CCOC(=O)NC(Cc1ccc(OC(=O)OCC)cc
1)C(=O)OC(C)C(C)C - Molecular Weight1
- 395.45
- 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° | -504.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1060.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 3.467 | Crippen Calculated Property | |
| McVol | 307.070 | ml/mol | McGowan Calculated Property |
| Pc | 1409.07 | kPa | Joback Calculated Property |
| Inp | [2557.70; 2557.70] |
|
|
| Inp | 2557.70 | NIST | |
| Inp | 2557.70 | NIST | |
| Tboil | 988.80 | K | Joback Calculated Property |
| Tc | 1212.28 | K | Joback Calculated Property |
| Tfus | 600.47 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.48; 1049.19] | J/mol×K | [988.80; 1212.28] |
|
| Cp,gas | 1005.48 | J/mol×K | 988.80 | Joback Calculated Property |
| Cp,gas | 1017.06 | J/mol×K | 1026.05 | Joback Calculated Property |
| Cp,gas | 1026.92 | J/mol×K | 1063.29 | Joback Calculated Property |
| Cp,gas | 1035.07 | J/mol×K | 1100.54 | Joback Calculated Property |
| Cp,gas | 1041.50 | J/mol×K | 1137.79 | Joback Calculated Property |
| Cp,gas | 1046.21 | J/mol×K | 1175.04 | Joback Calculated Property |
| Cp,gas | 1049.19 | J/mol×K | 1212.28 | Joback Calculated Property |
Similar Compounds
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Sources
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