- InChI
- InChI=1S/C9H14O5/c1-9(2)13-6-5(10)4-3-11-8(12-4)7(6)14-9/h4-8,10H,3H2,1-2H3
- InChI Key
- VEESJHGZLRXGHP-UHFFFAOYSA-N
- Formula
- C9H14O5
- SMILES
- CC1(C)OC2C3OCC(O3)C(O)C2O1
- Molecular Weight1
- 202.20
- CAS
- 14440-51-8
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -326.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.35 | kJ/mol | Joback Calculated Property |
| log10WS | -0.55 | Crippen Calculated Property | |
| logPoct/wat | -0.378 | Crippen Calculated Property | |
| McVol | 134.440 | ml/mol | McGowan Calculated Property |
| Pc | 3718.02 | kPa | Joback Calculated Property |
| Inp | 1436.60 | NIST | |
| Tboil | 620.29 | K | Joback Calculated Property |
| Tc | 831.31 | K | Joback Calculated Property |
| Tfus | 416.25 | K | Joback Calculated Property |
| Vc | 0.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.87; 495.36] | J/mol×K | [620.29; 831.31] | 
|
| Cp,gas | 418.87 | J/mol×K | 620.29 | Joback Calculated Property |
| Cp,gas | 433.31 | J/mol×K | 655.46 | Joback Calculated Property |
| Cp,gas | 446.90 | J/mol×K | 690.63 | Joback Calculated Property |
| Cp,gas | 459.76 | J/mol×K | 725.80 | Joback Calculated Property |
| Cp,gas | 472.03 | J/mol×K | 760.97 | Joback Calculated Property |
| Cp,gas | 483.85 | J/mol×K | 796.14 | Joback Calculated Property |
| Cp,gas | 495.36 | J/mol×K | 831.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Anhydro-2,3-O-isopropylidene-«beta»-D-mannopyranose.
Sources
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