- InChI
- InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m0/s1
- InChI Key
- WOTQVEKSRLZRSX-GCUFADGCSA-N
- Formula
- C28H38O19
- SMILES
-
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(
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
- 5346-90-7
- Other Names
-
- D-Cellobiose octaacetate
- «alpha»-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-«beta»-D-glucopyranosyl)-, tetraacetate
- Cellobiose, octaacetate, «alpha»-
- Cellobiose, octaacetate, «alpha»-D-
- Octaacetyl-«alpha»-cellobiose
- Cellobiose, octaacetate alpha, d-
- alpha-D-Cellobiose octaacetate
- Cellobiose octaacetate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1976 | Relay (1.0) Calculated Property | |
| ΔfG° | -1976.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3474.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 99.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 176.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.831 | Crippen Calculated Property | |
| McVol | 460.790 | ml/mol | McGowan Calculated Property |
| Pc | 851.47 | kPa | Joback Calculated Property |
| Tboil | 750.65 | K | Relay (1.0) Calculated Property |
| Tc | 971.09 | K | Relay (1.0) Calculated Property |
| Tfus | 387.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [-83.21; 1350.50] | J/mol×K | [1528.42; 2047.08] | 
|
| Cp,gas | 1350.50 | J/mol×K | 1528.42 | Joback Calculated Property |
| Cp,gas | 1203.74 | J/mol×K | 1614.86 | Joback Calculated Property |
| Cp,gas | 1022.51 | J/mol×K | 1701.31 | Joback Calculated Property |
| Cp,gas | 805.02 | J/mol×K | 1787.75 | Joback Calculated Property |
| Cp,gas | 549.44 | J/mol×K | 1874.19 | Joback Calculated Property |
| Cp,gas | 253.97 | J/mol×K | 1960.64 | Joback Calculated Property |
| Cp,gas | -83.21 | J/mol×K | 2047.08 | Joback Calculated Property |
| η | [0.0000112; 0.0000481] | Pa×s | [1038.81; 1528.42] |
|
| η | 0.0000481 | Pa×s | 1038.81 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 1120.41 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 1202.01 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 1283.62 | Joback Calculated Property |
| η | 0.0000162 | Pa×s | 1365.22 | Joback Calculated Property |
| η | 0.0000133 | Pa×s | 1446.82 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 1528.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-D-Cellobiose octaacetate.
Sources
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