- InChI
- InChI=1S/C17H16O5/c1-13(18)20-12-17(19)22-16-9-7-15(8-10-16)21-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
- InChI Key
- JUNAIOZDTRIYAP-UHFFFAOYSA-N
- Formula
- C17H16O5
- SMILES
-
CC(=O)OCC(=O)Oc1ccc(OCc2ccccc2
)cc1 - Molecular Weight1
- 300.31
- 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° | -265.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 2.734 | Crippen Calculated Property | |
| McVol | 223.620 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [2308.00; 2308.00] |
|
|
| Inp | 2308.00 | NIST | |
| Inp | 2308.00 | NIST | |
| Tboil | 821.70 | K | Joback Calculated Property |
| Tc | 1051.24 | K | Joback Calculated Property |
| Tfus | 513.26 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [639.10; 699.38] | J/mol×K | [821.70; 1051.24] |
|
| Cp,gas | 639.10 | J/mol×K | 821.70 | Joback Calculated Property |
| Cp,gas | 652.30 | J/mol×K | 859.96 | Joback Calculated Property |
| Cp,gas | 664.23 | J/mol×K | 898.21 | Joback Calculated Property |
| Cp,gas | 674.89 | J/mol×K | 936.47 | Joback Calculated Property |
| Cp,gas | 684.29 | J/mol×K | 974.73 | Joback Calculated Property |
| Cp,gas | 692.45 | J/mol×K | 1012.98 | Joback Calculated Property |
| Cp,gas | 699.38 | J/mol×K | 1051.24 | Joback Calculated Property |
| η | [0.0000635; 0.0004870] | Pa×s | [513.26; 821.70] |
|
| η | 0.0004870 | Pa×s | 513.26 | Joback Calculated Property |
| η | 0.0002971 | Pa×s | 564.67 | Joback Calculated Property |
| η | 0.0001969 | Pa×s | 616.07 | Joback Calculated Property |
| η | 0.0001390 | Pa×s | 667.48 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 718.89 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 770.29 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 821.70 | Joback Calculated Property |
Similar Compounds
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Sources
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