- InChI
- InChI=1S/C14H12O4/c1-10(15)17-9-14(16)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3
- InChI Key
- NXKZMCDDKZZDHM-UHFFFAOYSA-N
- Formula
- C14H12O4
- SMILES
- CC(=O)OCC(=O)Oc1cccc2ccccc12
- Molecular Weight1
- 244.24
- 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 | 0.6726 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.308 | Crippen Calculated Property | |
| McVol | 179.780 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | [1884.00; 1884.00] |
|
|
| Inp | 1884.00 | NIST | |
| Inp | 1884.00 | NIST | |
| Tboil | 620.17 | K | Relay (1.0) Calculated Property |
| Tc | 865.64 | K | Relay (1.0) Calculated Property |
| Tfus | 342.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.10; 535.11] | J/mol×K | [722.94; 951.99] |
|
| Cp,gas | 473.10 | J/mol×K | 722.94 | Joback Calculated Property |
| Cp,gas | 485.71 | J/mol×K | 761.12 | Joback Calculated Property |
| Cp,gas | 497.36 | J/mol×K | 799.29 | Joback Calculated Property |
| Cp,gas | 508.09 | J/mol×K | 837.47 | Joback Calculated Property |
| Cp,gas | 517.94 | J/mol×K | 875.64 | Joback Calculated Property |
| Cp,gas | 526.93 | J/mol×K | 913.82 | Joback Calculated Property |
| Cp,gas | 535.11 | J/mol×K | 951.99 | Joback Calculated Property |
| η | [0.0002168; 0.0010602] | Pa×s | [463.50; 722.94] |
|
| η | 0.0010602 | Pa×s | 463.50 | Joback Calculated Property |
| η | 0.0007269 | Pa×s | 506.74 | Joback Calculated Property |
| η | 0.0005289 | Pa×s | 549.98 | Joback Calculated Property |
| η | 0.0004031 | Pa×s | 593.22 | Joback Calculated Property |
| η | 0.0003187 | Pa×s | 636.46 | Joback Calculated Property |
| η | 0.0002597 | Pa×s | 679.70 | Joback Calculated Property |
| η | 0.0002168 | Pa×s | 722.94 | Joback Calculated Property |
Similar Compounds
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Sources
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