- InChI
- InChI=1S/C9H16O5/c1-6(10)14-9-7(12-3)5-13-8(9)4-11-2/h7-9H,4-5H2,1-3H3
- InChI Key
- XGUPLFWZEJKRNN-UHFFFAOYSA-N
- Formula
- C9H16O5
- SMILES
- COCC1OCC(OC)C1OC(C)=O
- Molecular Weight1
- 204.22
- Other Names
-
- 3-O-Acetyl-1,4-Anhydro-2,5-di-O-methyl-D-xylitol
- 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° | -484.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -850.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.75 | kJ/mol | Joback Calculated Property |
| log10WS | 0.06 | Crippen Calculated Property | |
| logPoct/wat | -0.022 | Crippen Calculated Property | |
| McVol | 151.860 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | [1320.82; 1320.82] |
|
|
| Inp | 1320.82 | NIST | |
| Inp | 1320.82 | NIST | |
| Tboil | 559.34 | K | Joback Calculated Property |
| Tc | 755.50 | K | Joback Calculated Property |
| Tfus | 336.80 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.71; 477.80] | J/mol×K | [559.34; 755.50] |
|
| Cp,gas | 393.71 | J/mol×K | 559.34 | Joback Calculated Property |
| Cp,gas | 409.40 | J/mol×K | 592.03 | Joback Calculated Property |
| Cp,gas | 424.45 | J/mol×K | 624.73 | Joback Calculated Property |
| Cp,gas | 438.84 | J/mol×K | 657.42 | Joback Calculated Property |
| Cp,gas | 452.54 | J/mol×K | 690.12 | Joback Calculated Property |
| Cp,gas | 465.53 | J/mol×K | 722.81 | Joback Calculated Property |
| Cp,gas | 477.80 | J/mol×K | 755.50 | Joback Calculated Property |
| η | [0.0002695; 0.0014298] | Pa×s | [336.80; 559.34] |
|
| η | 0.0014298 | Pa×s | 336.80 | Joback Calculated Property |
| η | 0.0009431 | Pa×s | 373.89 | Joback Calculated Property |
| η | 0.0006706 | Pa×s | 410.98 | Joback Calculated Property |
| η | 0.0005045 | Pa×s | 448.07 | Joback Calculated Property |
| η | 0.0003965 | Pa×s | 485.16 | Joback Calculated Property |
| η | 0.0003224 | Pa×s | 522.25 | Joback Calculated Property |
| η | 0.0002695 | Pa×s | 559.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-O-Acetyl-1,4-anhydro-2,5-di-O-methyl-D-ribitol.
Sources
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