- InChI
- InChI=1S/C15H21NO9/c1-8(17)22-7-13(23-9(2)18)15(25-11(4)20)14(24-10(3)19)12(6-16)21-5/h12-15H,7H2,1-5H3/t12-,13+,14+,15+/m0/s1
- InChI Key
- UNJPDBKOLFTASN-GBJTYRQASA-N
- Formula
- C15H21NO9
- SMILES
-
COC(C#N)C(OC(C)=O)C(OC(C)=O)C(
COC(C)=O)OC(C)=O - Molecular Weight1
- 359.33
- 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° | -841.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1320.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.94 | kJ/mol | Joback Calculated Property |
| log10WS | -0.95 | Crippen Calculated Property | |
| logPoct/wat | -0.117 | Crippen Calculated Property | |
| McVol | 259.220 | ml/mol | McGowan Calculated Property |
| Pc | 1620.68 | kPa | Joback Calculated Property |
| Inp | [2020.00; 2026.00] |
|
|
| Inp | 2026.00 | NIST | |
| Inp | 2023.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Tboil | 970.50 | K | Joback Calculated Property |
| Tc | 1190.72 | K | Joback Calculated Property |
| Tfus | 574.67 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.47; 839.16] | J/mol×K | [970.50; 1190.72] |
|
| Cp,gas | 813.47 | J/mol×K | 970.50 | Joback Calculated Property |
| Cp,gas | 821.94 | J/mol×K | 1007.20 | Joback Calculated Property |
| Cp,gas | 828.78 | J/mol×K | 1043.91 | Joback Calculated Property |
| Cp,gas | 833.96 | J/mol×K | 1080.61 | Joback Calculated Property |
| Cp,gas | 837.44 | J/mol×K | 1117.32 | Joback Calculated Property |
| Cp,gas | 839.16 | J/mol×K | 1154.02 | Joback Calculated Property |
| Cp,gas | 839.08 | J/mol×K | 1190.72 | Joback Calculated Property |
Similar Compounds
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Sources
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