- InChI
- InChI=1S/C13H20O8/c1-8(14)18-6-5-12(20-10(3)16)13(21-11(4)17)7-19-9(2)15/h12-13H,5-7H2,1-4H3
- InChI Key
- PSLLPAIVUVLGNH-UHFFFAOYSA-N
- Formula
- C13H20O8
- SMILES
-
CC(=O)OCCC(OC(C)=O)C(COC(C)=O)
OC(C)=O - Molecular Weight1
- 304.29
- 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° | -881.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1301.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.38 | kJ/mol | Joback Calculated Property |
| log10WS | -0.94 | Crippen Calculated Property | |
| logPoct/wat | 0.366 | Crippen Calculated Property | |
| McVol | 223.790 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | 1681.80 | NIST | |
| Tboil | 801.12 | K | Joback Calculated Property |
| Tc | 997.63 | K | Joback Calculated Property |
| Tfus | 494.91 | K | Joback Calculated Property |
| Vc | 0.848 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.07; 720.67] | J/mol×K | [801.12; 997.63] | 
|
| Cp,gas | 661.07 | J/mol×K | 801.12 | Joback Calculated Property |
| Cp,gas | 673.51 | J/mol×K | 833.87 | Joback Calculated Property |
| Cp,gas | 684.98 | J/mol×K | 866.62 | Joback Calculated Property |
| Cp,gas | 695.46 | J/mol×K | 899.37 | Joback Calculated Property |
| Cp,gas | 704.92 | J/mol×K | 932.13 | Joback Calculated Property |
| Cp,gas | 713.33 | J/mol×K | 964.88 | Joback Calculated Property |
| Cp,gas | 720.67 | J/mol×K | 997.63 | Joback Calculated Property |
| η | [0.0000626; 0.0006776] | Pa×s | [494.91; 801.12] |
|
| η | 0.0006776 | Pa×s | 494.91 | Joback Calculated Property |
| η | 0.0003785 | Pa×s | 545.94 | Joback Calculated Property |
| η | 0.0002335 | Pa×s | 596.98 | Joback Calculated Property |
| η | 0.0001555 | Pa×s | 648.01 | Joback Calculated Property |
| η | 0.0001099 | Pa×s | 699.05 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 750.09 | Joback Calculated Property |
| η | 0.0000626 | Pa×s | 801.12 | Joback Calculated Property |
Similar Compounds
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Sources
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