- InChI
- InChI=1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-5,8-11H,2H2,1H3
- InChI Key
- KPHIBLNUVRGOGU-UHFFFAOYSA-N
- Formula
- C7H12O7
- SMILES
- COC(=O)C(=O)C(O)C(O)C(O)CO
- Molecular Weight1
- 208.17
- CAS
- 3031-98-9
- Other Names
-
- L-xylo-2-Hexulosonic acid, methyl ester
- 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).
- 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° | -909.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1169.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.63 | kJ/mol | Joback Calculated Property |
| log10WS | 1.71 | Crippen Calculated Property | |
| logPoct/wat | -3.197 | Crippen Calculated Property | |
| McVol | 141.980 | ml/mol | McGowan Calculated Property |
| Pc | 5183.17 | kPa | Joback Calculated Property |
| Tboil | 857.12 | K | Joback Calculated Property |
| Tc | 1049.51 | K | Joback Calculated Property |
| Tfus | 489.02 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.30; 459.40] | J/mol×K | [857.12; 1049.51] | 
|
| Cp,gas | 429.30 | J/mol×K | 857.12 | Joback Calculated Property |
| Cp,gas | 435.54 | J/mol×K | 889.19 | Joback Calculated Property |
| Cp,gas | 441.27 | J/mol×K | 921.25 | Joback Calculated Property |
| Cp,gas | 446.52 | J/mol×K | 953.32 | Joback Calculated Property |
| Cp,gas | 451.29 | J/mol×K | 985.38 | Joback Calculated Property |
| Cp,gas | 455.58 | J/mol×K | 1017.45 | Joback Calculated Property |
| Cp,gas | 459.40 | J/mol×K | 1049.51 | Joback Calculated Property |
| η | [0.0000002; 0.0003362] | Pa×s | [489.02; 857.12] |
|
| η | 0.0003362 | Pa×s | 489.02 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 550.37 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 611.72 | Joback Calculated Property |
| η | 0.0000028 | Pa×s | 673.07 | Joback Calculated Property |
| η | 0.0000010 | Pa×s | 734.42 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 795.77 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 857.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-xylo-hexulosonic acid, methyl ester.
Sources
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