- InChI
- InChI=1S/C12H12O5/c1-7(13)11-5-4-10(16-8(2)14)6-12(11)17-9(3)15/h4-6H,1-3H3
- InChI Key
- FKSHOQTWUWCWTG-UHFFFAOYSA-N
- Formula
- C12H12O5
- SMILES
-
CC(=O)Oc1ccc(C(C)=O)c(OC(C)=O)
c1 - Molecular Weight1
- 236.22
- 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° | -453.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 1.740 | Crippen Calculated Property | |
| McVol | 172.630 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | 1744.10 | NIST | |
| Tboil | 717.05 | K | Joback Calculated Property |
| Tc | 935.93 | K | Joback Calculated Property |
| Tfus | 470.71 | K | Joback Calculated Property |
| Vc | 0.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.81; 506.81] | J/mol×K | [717.05; 935.93] | 
|
| Cp,gas | 448.81 | J/mol×K | 717.05 | Joback Calculated Property |
| Cp,gas | 460.60 | J/mol×K | 753.53 | Joback Calculated Property |
| Cp,gas | 471.55 | J/mol×K | 790.01 | Joback Calculated Property |
| Cp,gas | 481.65 | J/mol×K | 826.49 | Joback Calculated Property |
| Cp,gas | 490.90 | J/mol×K | 862.97 | Joback Calculated Property |
| Cp,gas | 499.29 | J/mol×K | 899.45 | Joback Calculated Property |
| Cp,gas | 506.81 | J/mol×K | 935.93 | Joback Calculated Property |
| η | [0.0001502; 0.0008374] | Pa×s | [470.71; 717.05] |
|
| η | 0.0008374 | Pa×s | 470.71 | Joback Calculated Property |
| η | 0.0005606 | Pa×s | 511.77 | Joback Calculated Property |
| η | 0.0003984 | Pa×s | 552.82 | Joback Calculated Property |
| η | 0.0002968 | Pa×s | 593.88 | Joback Calculated Property |
| η | 0.0002297 | Pa×s | 634.94 | Joback Calculated Property |
| η | 0.0001834 | Pa×s | 675.99 | Joback Calculated Property |
| η | 0.0001502 | Pa×s | 717.05 | Joback Calculated Property |
Similar Compounds
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Sources
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