- InChI
- InChI=1S/C16H20O6/c1-3-4-9-21-15(18)10-20-11-16(19)22-14-8-6-5-7-13(14)12(2)17/h5-8H,3-4,9-11H2,1-2H3
- InChI Key
- CTNVLYZEVOPPNW-UHFFFAOYSA-N
- Formula
- C16H20O6
- SMILES
-
CCCCOC(=O)COCC(=O)Oc1ccccc1C(C
)=O - Molecular Weight1
- 308.33
- 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° | -515.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -882.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.62 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.154 | Crippen Calculated Property | |
| McVol | 234.860 | ml/mol | McGowan Calculated Property |
| Pc | 1890.36 | kPa | Joback Calculated Property |
| Inp | [2719.00; 2719.00] |
|
|
| Inp | 2719.00 | NIST | |
| Inp | 2719.00 | NIST | |
| Tboil | 826.01 | K | Joback Calculated Property |
| Tc | 1034.00 | K | Joback Calculated Property |
| Tfus | 525.50 | K | Joback Calculated Property |
| Vc | 0.895 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.41; 753.18] | J/mol×K | [826.01; 1034.00] |
|
| Cp,gas | 691.41 | J/mol×K | 826.01 | Joback Calculated Property |
| Cp,gas | 704.43 | J/mol×K | 860.67 | Joback Calculated Property |
| Cp,gas | 716.36 | J/mol×K | 895.34 | Joback Calculated Property |
| Cp,gas | 727.21 | J/mol×K | 930.00 | Joback Calculated Property |
| Cp,gas | 736.96 | J/mol×K | 964.67 | Joback Calculated Property |
| Cp,gas | 745.62 | J/mol×K | 999.33 | Joback Calculated Property |
| Cp,gas | 753.18 | J/mol×K | 1034.00 | Joback Calculated Property |
| η | [0.0000691; 0.0005159] | Pa×s | [525.50; 826.01] |
|
| η | 0.0005159 | Pa×s | 525.50 | Joback Calculated Property |
| η | 0.0003189 | Pa×s | 575.59 | Joback Calculated Property |
| η | 0.0002130 | Pa×s | 625.67 | Joback Calculated Property |
| η | 0.0001510 | Pa×s | 675.75 | Joback Calculated Property |
| η | 0.0001122 | Pa×s | 725.84 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 775.92 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 826.01 | Joback Calculated Property |
Similar Compounds
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Sources
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