- InChI
- InChI=1S/C12H18O7/c1-6(17-7(2)13)11-12(19-9(4)15)10(5-16-11)18-8(3)14/h6,10-12H,5H2,1-4H3/t6-,10+,11+,12-/m0/s1
- InChI Key
- SSTYJVAQXLVKEY-KNFQTBNASA-N
- Formula
- C12H18O7
- SMILES
-
CC(=O)OC(C)C1OCC(OC(C)=O)C1OC(
C)=O - Molecular Weight1
- 274.27
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6398 | Relay (... Calculated Property | |
| ΔfG° | -719.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1302.67 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.43 | eV | Relay (... Calculated Property |
| log10WS | -0.99 | Relay (... Calculated Property | |
| logPoct/wat | 0.200 | Crippen Calculated Property | |
| McVol | 197.270 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1617.58; 1617.58] |
|
|
| Inp | 1617.58 | NIST | |
| Inp | 1617.58 | NIST | |
| Tboil | 558.83 | K | Relay (... Calculated Property |
| Tc | 733.92 | K | Relay (... Calculated Property |
| Tfus | 326.44 | K | Relay (... Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.41; 664.06] | J/mol×K | [735.28; 941.31] |
|
| Cp,gas | 590.41 | J/mol×K | 735.28 | Joback Calculated Property |
| Cp,gas | 605.37 | J/mol×K | 769.62 | Joback Calculated Property |
| Cp,gas | 619.29 | J/mol×K | 803.96 | Joback Calculated Property |
| Cp,gas | 632.14 | J/mol×K | 838.30 | Joback Calculated Property |
| Cp,gas | 643.90 | J/mol×K | 872.63 | Joback Calculated Property |
| Cp,gas | 654.55 | J/mol×K | 906.97 | Joback Calculated Property |
| Cp,gas | 664.06 | J/mol×K | 941.31 | Joback Calculated Property |
| η | [0.0002126; 0.0013646] | Pa×s | [455.47; 735.28] |
|
| η | 0.0013646 | Pa×s | 455.47 | Joback Calculated Property |
| η | 0.0008668 | Pa×s | 502.11 | Joback Calculated Property |
| η | 0.0005947 | Pa×s | 548.74 | Joback Calculated Property |
| η | 0.0004329 | Pa×s | 595.38 | Joback Calculated Property |
| η | 0.0003299 | Pa×s | 642.01 | Joback Calculated Property |
| η | 0.0002609 | Pa×s | 688.64 | Joback Calculated Property |
| η | 0.0002126 | Pa×s | 735.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Tri-O-Acetyl-1,4-Anhydro-L-fucitol.
Sources
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