- InChI
- InChI=1S/C15H18O6/c1-10(16)19-7-13-4-14(8-20-11(2)17)6-15(5-13)9-21-12(3)18/h4-6H,7-9H2,1-3H3
- InChI Key
- JTUPDNAWXLSTQJ-UHFFFAOYSA-N
- Formula
- C15H18O6
- SMILES
-
CC(=O)OCc1cc(COC(C)=O)cc(COC(C
)=O)c1 - Molecular Weight1
- 294.30
- 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° | -533.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 1.876 | Crippen Calculated Property | |
| McVol | 220.770 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | 2010.00 | NIST | |
| Tboil | 808.11 | K | Joback Calculated Property |
| Tc | 1018.00 | K | Joback Calculated Property |
| Tfus | 526.75 | K | Joback Calculated Property |
| Vc | 0.840 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.51; 694.80] | J/mol×K | [808.11; 1018.00] | 
|
| Cp,gas | 634.51 | J/mol×K | 808.11 | Joback Calculated Property |
| Cp,gas | 647.19 | J/mol×K | 843.09 | Joback Calculated Property |
| Cp,gas | 658.83 | J/mol×K | 878.07 | Joback Calculated Property |
| Cp,gas | 669.43 | J/mol×K | 913.05 | Joback Calculated Property |
| Cp,gas | 678.96 | J/mol×K | 948.03 | Joback Calculated Property |
| Cp,gas | 687.42 | J/mol×K | 983.02 | Joback Calculated Property |
| Cp,gas | 694.80 | J/mol×K | 1018.00 | Joback Calculated Property |
| η | [0.0000798; 0.0004943] | Pa×s | [526.75; 808.11] |
|
| η | 0.0004943 | Pa×s | 526.75 | Joback Calculated Property |
| η | 0.0003221 | Pa×s | 573.64 | Joback Calculated Property |
| η | 0.0002240 | Pa×s | 620.54 | Joback Calculated Property |
| η | 0.0001639 | Pa×s | 667.43 | Joback Calculated Property |
| η | 0.0001250 | Pa×s | 714.32 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 761.22 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 808.11 | Joback Calculated Property |
Similar Compounds
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Sources
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