- InChI
- InChI=1S/C10H13NO6/c1-6(12)15-5-10(17-8(3)14)9(4-11)16-7(2)13/h9-10H,5H2,1-3H3
- InChI Key
- ZLZTVHJXGGNLSP-UHFFFAOYSA-N
- Formula
- C10H13NO6
- SMILES
-
CC(=O)OCC(OC(C)=O)C(C#N)OC(C)=
O - Molecular Weight1
- 243.21
- 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° | -540.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -829.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.02 | kJ/mol | Joback Calculated Property |
| log10WS | -0.69 | Crippen Calculated Property | |
| logPoct/wat | -0.064 | Crippen Calculated Property | |
| McVol | 175.460 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | [1440.80; 1440.80] |
|
|
| Inp | 1440.80 | NIST | |
| Inp | 1440.80 | NIST | |
| Tboil | 758.27 | K | Joback Calculated Property |
| Tc | 964.28 | K | Joback Calculated Property |
| Tfus | 453.93 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.42; 529.84] | J/mol×K | [758.27; 964.28] |
|
| Cp,gas | 480.42 | J/mol×K | 758.27 | Joback Calculated Property |
| Cp,gas | 490.64 | J/mol×K | 792.61 | Joback Calculated Property |
| Cp,gas | 500.09 | J/mol×K | 826.94 | Joback Calculated Property |
| Cp,gas | 508.76 | J/mol×K | 861.28 | Joback Calculated Property |
| Cp,gas | 516.62 | J/mol×K | 895.61 | Joback Calculated Property |
| Cp,gas | 523.66 | J/mol×K | 929.95 | Joback Calculated Property |
| Cp,gas | 529.84 | J/mol×K | 964.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-(-)-Erythrose, aldononitrile, triacetate.
Sources
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