- InChI
- InChI=1S/C9H16O5/c1-10-6-5-4-13-9(14-5)8(12-3)7(6)11-2/h5-9H,4H2,1-3H3
- InChI Key
- ZZSLTIGBKYUBSG-UHFFFAOYSA-N
- Formula
- C9H16O5
- SMILES
- COC1C2COC(O2)C(OC)C1OC
- Molecular Weight1
- 204.22
- CAS
- 2951-86-2
- Other Names
-
- 1,6-Anhydro-«beta»-D-glucose, trimethyl ether
- 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).
- 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° | -388.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -817.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.12 | kJ/mol | Joback Calculated Property |
| log10WS | 0.13 | Crippen Calculated Property | |
| logPoct/wat | -0.214 | Crippen Calculated Property | |
| McVol | 145.300 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | 1403.90 | NIST | |
| Tboil | 534.49 | K | Joback Calculated Property |
| Tc | 734.91 | K | Joback Calculated Property |
| Tfus | 327.14 | K | Joback Calculated Property |
| Vc | 0.530 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.34; 482.37] | J/mol×K | [534.49; 734.91] | 
|
| Cp,gas | 389.34 | J/mol×K | 534.49 | Joback Calculated Property |
| Cp,gas | 406.77 | J/mol×K | 567.89 | Joback Calculated Property |
| Cp,gas | 423.44 | J/mol×K | 601.30 | Joback Calculated Property |
| Cp,gas | 439.34 | J/mol×K | 634.70 | Joback Calculated Property |
| Cp,gas | 454.47 | J/mol×K | 668.10 | Joback Calculated Property |
| Cp,gas | 468.81 | J/mol×K | 701.51 | Joback Calculated Property |
| Cp,gas | 482.37 | J/mol×K | 734.91 | Joback Calculated Property |
| η | [0.0005709; 0.0012049] | Pa×s | [327.14; 534.49] |
|
| η | 0.0012049 | Pa×s | 327.14 | Joback Calculated Property |
| η | 0.0010024 | Pa×s | 361.70 | Joback Calculated Property |
| η | 0.0008612 | Pa×s | 396.26 | Joback Calculated Property |
| η | 0.0007581 | Pa×s | 430.81 | Joback Calculated Property |
| η | 0.0006801 | Pa×s | 465.37 | Joback Calculated Property |
| η | 0.0006193 | Pa×s | 499.93 | Joback Calculated Property |
| η | 0.0005709 | Pa×s | 534.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trimethyllevoglucosan.
Sources
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