- InChI
- InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3
- InChI Key
- ZIJKGAXBCRWEOL-UHFFFAOYSA-N
- Formula
- C28H38O19
- SMILES
-
CC(=O)OCC1OC(OC2(COC(C)=O)OC(C
OC(C)=O)C(OC(C)=O)C2OC(C)=O)C( OC(C)=O)C(OC(C)=O)C1OC(C)=O - Molecular Weight1
- 678.59
- CAS
- 126-14-7
- Other Names
-
- «alpha»-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-«beta»-D-fructofuranosyl, tetraacetate
- Octaacetyl sucrose
- D-(+)-Sucrose octaacetate
- Saccharose octaacetate
- Soa
- 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).
- 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° | -1962.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2988.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 94.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 159.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | -0.829 | Crippen Calculated Property | |
| McVol | 460.790 | ml/mol | McGowan Calculated Property |
| Pc | 878.44 | kPa | Joback Calculated Property |
| Tboil | 1529.06 | K | Joback Calculated Property |
| Tc | 2046.05 | K | Joback Calculated Property |
| Tfus | 360.00 ± 4.00 | K | NIST |
| Vc | 1.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [935.70; 1590.07] | J/mol×K | [1529.06; 2046.05] | 
|
| Cp,gas | 1590.07 | J/mol×K | 1529.06 | Joback Calculated Property |
| Cp,gas | 1527.54 | J/mol×K | 1615.23 | Joback Calculated Property |
| Cp,gas | 1446.97 | J/mol×K | 1701.39 | Joback Calculated Property |
| Cp,gas | 1347.92 | J/mol×K | 1787.56 | Joback Calculated Property |
| Cp,gas | 1229.98 | J/mol×K | 1873.72 | Joback Calculated Property |
| Cp,gas | 1092.71 | J/mol×K | 1959.89 | Joback Calculated Property |
| Cp,gas | 935.70 | J/mol×K | 2046.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sucrose Octaacetate.
Sources
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