- InChI
- InChI=1S/C9H16O5/c1-6(10)14-8-5-13-4-7(11-2)9(8)12-3/h7-9H,4-5H2,1-3H3/t7-,8+,9-/m0/s1
- InChI Key
- NFTACBULRBCFQP-YIZRAAEISA-N
- Formula
- C9H16O5
- SMILES
- COC1COCC(OC(C)=O)C1OC
- Molecular Weight1
- 204.22
- 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° | -496.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.92 | 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 | 2657.03 | kPa | Joback Calculated Property |
| Inp | [1344.54; 1344.54] |
|
|
| Inp | 1344.54 | NIST | |
| Inp | 1344.54 | NIST | |
| Tboil | 563.61 | K | Joback Calculated Property |
| Tc | 766.45 | K | Joback Calculated Property |
| Tfus | 333.28 | K | Joback Calculated Property |
| Vc | 0.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.65; 483.06] | J/mol×K | [563.61; 766.45] |
|
| Cp,gas | 394.65 | J/mol×K | 563.61 | Joback Calculated Property |
| Cp,gas | 411.26 | J/mol×K | 597.42 | Joback Calculated Property |
| Cp,gas | 427.15 | J/mol×K | 631.22 | Joback Calculated Property |
| Cp,gas | 442.31 | J/mol×K | 665.03 | Joback Calculated Property |
| Cp,gas | 456.70 | J/mol×K | 698.84 | Joback Calculated Property |
| Cp,gas | 470.29 | J/mol×K | 732.64 | Joback Calculated Property |
| Cp,gas | 483.06 | J/mol×K | 766.45 | Joback Calculated Property |
| η | [0.0002121; 0.0015574] | Pa×s | [333.28; 563.61] |
|
| η | 0.0015574 | Pa×s | 333.28 | Joback Calculated Property |
| η | 0.0009409 | Pa×s | 371.67 | Joback Calculated Property |
| η | 0.0006247 | Pa×s | 410.06 | Joback Calculated Property |
| η | 0.0004449 | Pa×s | 448.44 | Joback Calculated Property |
| η | 0.0003342 | Pa×s | 486.83 | Joback Calculated Property |
| η | 0.0002618 | Pa×s | 525.22 | Joback Calculated Property |
| η | 0.0002121 | Pa×s | 563.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-O-acetyl-1,5-Anhydro-3,4-di-O-methyl-D-ribitol.
Sources
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