- InChI
- InChI=1S/C13H14O4/c1-8(14)12(9(2)15)13(16)10-4-6-11(17-3)7-5-10/h4-7,12H,1-3H3
- InChI Key
- CRQNKYNTSKUTDE-UHFFFAOYSA-N
- Formula
- C13H14O4
- SMILES
-
COc1ccc(C(=O)C(C(C)=O)C(C)=O)c
c1 - Molecular Weight1
- 234.25
- CAS
- 137833-36-4
- 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).
- 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 | 0.6202 | Relay (1.0) Calculated Property | |
| ΔfG° | -332.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | NIST |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.672 | Crippen Calculated Property | |
| McVol | 180.850 | ml/mol | McGowan Calculated Property |
| Pc | 2576.72 | kPa | Joback Calculated Property |
| Tboil | 597.23 | K | Relay (1.0) Calculated Property |
| Tc | 809.49 | K | Relay (1.0) Calculated Property |
| Tfus | 362.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.39; 541.35] | J/mol×K | [712.09; 933.07] | 
|
| Cp,gas | 477.39 | J/mol×K | 712.09 | Joback Calculated Property |
| Cp,gas | 490.33 | J/mol×K | 748.92 | Joback Calculated Property |
| Cp,gas | 502.33 | J/mol×K | 785.75 | Joback Calculated Property |
| Cp,gas | 513.41 | J/mol×K | 822.58 | Joback Calculated Property |
| Cp,gas | 523.60 | J/mol×K | 859.41 | Joback Calculated Property |
| Cp,gas | 532.90 | J/mol×K | 896.24 | Joback Calculated Property |
| Cp,gas | 541.35 | J/mol×K | 933.07 | Joback Calculated Property |
| η | [0.0001594; 0.0014331] | Pa×s | [432.23; 712.09] |
|
| η | 0.0014331 | Pa×s | 432.23 | Joback Calculated Property |
| η | 0.0008316 | Pa×s | 478.87 | Joback Calculated Property |
| η | 0.0005315 | Pa×s | 525.52 | Joback Calculated Property |
| η | 0.0003654 | Pa×s | 572.16 | Joback Calculated Property |
| η | 0.0002658 | Pa×s | 618.80 | Joback Calculated Property |
| η | 0.0002022 | Pa×s | 665.45 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 712.09 | Joback Calculated Property |
Similar Compounds
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Sources
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