- InChI
- InChI=1S/C11H15NO6/c1-7(13)16-6-11(18-9(3)15)10(4-5-12)17-8(2)14/h10-11H,4,6H2,1-3H3
- InChI Key
- QIPNLISJPJVKGP-UHFFFAOYSA-N
- Formula
- C11H15NO6
- SMILES
-
CC(=O)OCC(OC(C)=O)C(CC#N)OC(C)
=O - Molecular Weight1
- 257.24
- 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° | -531.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -850.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.25 | kJ/mol | Joback Calculated Property |
| log10WS | -1.11 | Crippen Calculated Property | |
| logPoct/wat | 0.327 | Crippen Calculated Property | |
| McVol | 189.550 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | [1598.40; 1598.40] |
|
|
| Inp | 1598.40 | NIST | |
| Inp | 1598.40 | NIST | |
| Tboil | 781.15 | K | Joback Calculated Property |
| Tc | 985.56 | K | Joback Calculated Property |
| Tfus | 465.20 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.09; 584.51] | J/mol×K | [781.15; 985.56] |
|
| Cp,gas | 533.09 | J/mol×K | 781.15 | Joback Calculated Property |
| Cp,gas | 543.78 | J/mol×K | 815.22 | Joback Calculated Property |
| Cp,gas | 553.65 | J/mol×K | 849.29 | Joback Calculated Property |
| Cp,gas | 562.67 | J/mol×K | 883.36 | Joback Calculated Property |
| Cp,gas | 570.84 | J/mol×K | 917.42 | Joback Calculated Property |
| Cp,gas | 578.12 | J/mol×K | 951.49 | Joback Calculated Property |
| Cp,gas | 584.51 | J/mol×K | 985.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Deoxy-D-ribose, aldononitrile, triacetate.
Sources
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