- InChI
- InChI=1S/C16H23NO9/c1-6-22-13(7-17)15(25-11(4)20)16(26-12(5)21)14(24-10(3)19)8-23-9(2)18/h13-16H,6,8H2,1-5H3/t13-,14+,15+,16+/m0/s1
- InChI Key
- VYXVHDPIABFEFM-ZJIFWQFVSA-N
- Formula
- C16H23NO9
- SMILES
-
CCOC(C#N)C(OC(C)=O)C(OC(C)=O)C
(COC(C)=O)OC(C)=O - Molecular Weight1
- 373.36
- 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° | -833.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1341.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.17 | kJ/mol | Joback Calculated Property |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 0.273 | Crippen Calculated Property | |
| McVol | 273.310 | ml/mol | McGowan Calculated Property |
| Pc | 1502.31 | kPa | Joback Calculated Property |
| Inp | [2046.00; 2054.00] |
|
|
| Inp | 2054.00 | NIST | |
| Inp | 2050.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Inp | 2054.00 | NIST | |
| Tboil | 993.38 | K | Joback Calculated Property |
| Tc | 1216.96 | K | Joback Calculated Property |
| Tfus | 585.94 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.38; 894.29] | J/mol×K | [993.38; 1216.96] |
|
| Cp,gas | 870.38 | J/mol×K | 993.38 | Joback Calculated Property |
| Cp,gas | 878.74 | J/mol×K | 1030.64 | Joback Calculated Property |
| Cp,gas | 885.36 | J/mol×K | 1067.91 | Joback Calculated Property |
| Cp,gas | 890.18 | J/mol×K | 1105.17 | Joback Calculated Property |
| Cp,gas | 893.17 | J/mol×K | 1142.44 | Joback Calculated Property |
| Cp,gas | 894.29 | J/mol×K | 1179.70 | Joback Calculated Property |
| Cp,gas | 893.48 | J/mol×K | 1216.96 | Joback Calculated Property |
Similar Compounds
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Sources
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