- InChI
- InChI=1S/C16H21NO10/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h13-16H,7H2,1-5H3
- InChI Key
- INCBLRCTSZYSJE-UHFFFAOYSA-N
- Formula
- C16H21NO10
- SMILES
-
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(
OC(C)=O)C(C#N)OC(C)=O - Molecular Weight1
- 387.34
- 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° | -962.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1453.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.92 | kJ/mol | Joback Calculated Property |
| log10WS | -1.15 | Crippen Calculated Property | |
| logPoct/wat | -0.200 | Crippen Calculated Property | |
| McVol | 274.880 | ml/mol | McGowan Calculated Property |
| Pc | 1578.46 | kPa | Joback Calculated Property |
| Inp | 1937.80 | NIST | |
| Tboil | 1047.25 | K | Joback Calculated Property |
| Tc | 1282.15 | K | Joback Calculated Property |
| Tfus | 635.87 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.07; 879.90] | J/mol×K | [1047.25; 1282.15] | 
|
| Cp,gas | 870.07 | J/mol×K | 1047.25 | Joback Calculated Property |
| Cp,gas | 875.40 | J/mol×K | 1086.40 | Joback Calculated Property |
| Cp,gas | 878.69 | J/mol×K | 1125.55 | Joback Calculated Property |
| Cp,gas | 879.90 | J/mol×K | 1164.70 | Joback Calculated Property |
| Cp,gas | 878.96 | J/mol×K | 1203.85 | Joback Calculated Property |
| Cp,gas | 875.84 | J/mol×K | 1243.00 | Joback Calculated Property |
| Cp,gas | 870.46 | J/mol×K | 1282.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-(+)-Mannose, aldononitrile, pentaacetate.
Sources
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