- InChI
- InChI=1S/C12H16O8/c1-5(13)17-9-8-4-16-12(20-8)11(19-7(3)15)10(9)18-6(2)14/h8-12H,4H2,1-3H3/t8-,9+,10-,11+,12+/m1/s1
- InChI Key
- BAKQMOSGYGQJOJ-LVEVGFFFSA-N
- Formula
- C12H16O8
- SMILES
-
CC(=O)OC1C2COC(O2)C(OC(C)=O)C1
OC(C)=O - Molecular Weight1
- 288.25
- CAS
- 13242-55-2
- Other Names
-
- Levoglucosan, triacetate
- Triacetyllevoglucosan
- 1,6-Anhydro-«beta»-D-glucopyranose triacetate
- 6,8-Dioxabicyclo[3.2.1]octane, b-d-glucopyranose deriv.
- 1,6-Anhydro-b-d-glucopyranose triacetate
- 1,6-Anhydro-2,3,4-tri-O-acetyl-b-d-glucopyranose
- 2,3,4-Tri-O-acetyl-1,6-anhydro-b-d-glucopyranose
- 1,6-anhydro-«beta»-D-glucose triacetate
- 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 | 0.6346 | Relay (1.0) Calculated Property | |
| ΔfG° | -749.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1414.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.463 | Crippen Calculated Property | |
| McVol | 192.280 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback Calculated Property |
| Tboil | 574.26 | K | Relay (1.0) Calculated Property |
| Tc | 797.42 | K | Relay (1.0) Calculated Property |
| Tfus | 380.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.751 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [608.07; 678.00] | J/mol×K | [764.74; 977.29] | 
|
| Cp,gas | 608.07 | J/mol×K | 764.74 | Joback Calculated Property |
| Cp,gas | 622.57 | J/mol×K | 800.17 | Joback Calculated Property |
| Cp,gas | 635.93 | J/mol×K | 835.59 | Joback Calculated Property |
| Cp,gas | 648.16 | J/mol×K | 871.02 | Joback Calculated Property |
| Cp,gas | 659.26 | J/mol×K | 906.44 | Joback Calculated Property |
| Cp,gas | 669.20 | J/mol×K | 941.87 | Joback Calculated Property |
| Cp,gas | 678.00 | J/mol×K | 977.29 | Joback Calculated Property |
| η | [0.0007516; 0.0021990] | Pa×s | [510.74; 764.74] |
|
| η | 0.0021990 | Pa×s | 510.74 | Joback Calculated Property |
| η | 0.0017170 | Pa×s | 553.07 | Joback Calculated Property |
| η | 0.0013887 | Pa×s | 595.41 | Joback Calculated Property |
| η | 0.0011552 | Pa×s | 637.74 | Joback Calculated Property |
| η | 0.0009833 | Pa×s | 680.07 | Joback Calculated Property |
| η | 0.0008529 | Pa×s | 722.41 | Joback Calculated Property |
| η | 0.0007516 | Pa×s | 764.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-D-Glucopyranose, 1,6-anhydro-, triacetate.
Sources
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