- InChI
- InChI=1S/C12H14O5/c1-6(2)17-12(16)10-7(3)4-9(14)8(5-13)11(10)15/h4-6,14-15H,1-3H3
- InChI Key
- BECXOCBQWLOZFB-UHFFFAOYSA-N
- Formula
- C12H14O5
- SMILES
-
Cc1cc(O)c(C=O)c(O)c1C(=O)OC(C)
C - Molecular Weight1
- 238.24
- CAS
- 1245608-15-4
- 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).
- 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° | -501.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -767.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 1.784 | Crippen Calculated Property | |
| McVol | 176.930 | ml/mol | McGowan Calculated Property |
| Pc | 3704.46 | kPa | Joback Calculated Property |
| Tboil | 796.35 | K | Joback Calculated Property |
| Tc | 1026.97 | K | Joback Calculated Property |
| Tfus | 599.06 | K | Joback Calculated Property |
| Vc | 0.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.65; 564.38] | J/mol×K | [796.35; 1026.97] | 
|
| Cp,gas | 503.65 | J/mol×K | 796.35 | Joback Calculated Property |
| Cp,gas | 514.43 | J/mol×K | 834.79 | Joback Calculated Property |
| Cp,gas | 524.81 | J/mol×K | 873.22 | Joback Calculated Property |
| Cp,gas | 534.89 | J/mol×K | 911.66 | Joback Calculated Property |
| Cp,gas | 544.77 | J/mol×K | 950.10 | Joback Calculated Property |
| Cp,gas | 554.57 | J/mol×K | 988.54 | Joback Calculated Property |
| Cp,gas | 564.38 | J/mol×K | 1026.97 | Joback Calculated Property |
| η | [0.0000007; 0.0000131] | Pa×s | [599.06; 796.35] |
|
| η | 0.0000131 | Pa×s | 599.06 | Joback Calculated Property |
| η | 0.0000072 | Pa×s | 631.94 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 664.82 | Joback Calculated Property |
| η | 0.0000025 | Pa×s | 697.71 | Joback Calculated Property |
| η | 0.0000016 | Pa×s | 730.59 | Joback Calculated Property |
| η | 0.0000011 | Pa×s | 763.47 | Joback Calculated Property |
| η | 0.0000007 | Pa×s | 796.35 | Joback Calculated Property |
Similar Compounds
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Sources
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