- InChI
- InChI=1S/C13H17NO8/c1-7(15)19-6-12(21-9(3)17)13(22-10(4)18)11(5-14)20-8(2)16/h11-13H,6H2,1-4H3
- InChI Key
- YHTPKBYAZJOQCI-UHFFFAOYSA-N
- Formula
- C13H17NO8
- SMILES
-
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(
C#N)OC(C)=O - Molecular Weight1
- 315.28
- 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° | -751.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1141.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.47 | kJ/mol | Joback Calculated Property |
| log10WS | -0.92 | Crippen Calculated Property | |
| logPoct/wat | -0.132 | Crippen Calculated Property | |
| McVol | 225.170 | ml/mol | McGowan Calculated Property |
| Pc | 1918.62 | kPa | Joback Calculated Property |
| Inp | 1710.90 | NIST | |
| Tboil | 902.76 | K | Joback Calculated Property |
| Tc | 1116.10 | K | Joback Calculated Property |
| Tfus | 544.90 | K | Joback Calculated Property |
| Vc | 0.868 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.92; 712.26] | J/mol×K | [902.76; 1116.10] | 
|
| Cp,gas | 675.92 | J/mol×K | 902.76 | Joback Calculated Property |
| Cp,gas | 685.12 | J/mol×K | 938.32 | Joback Calculated Property |
| Cp,gas | 693.11 | J/mol×K | 973.87 | Joback Calculated Property |
| Cp,gas | 699.85 | J/mol×K | 1009.43 | Joback Calculated Property |
| Cp,gas | 705.31 | J/mol×K | 1044.99 | Joback Calculated Property |
| Cp,gas | 709.46 | J/mol×K | 1080.55 | Joback Calculated Property |
| Cp,gas | 712.26 | J/mol×K | 1116.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to DL-Arabinose, aldononitrile, tetraacetate.
Sources
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