- InChI
- InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
- InChI Key
- XHBZOAYMBBUURD-UHFFFAOYSA-N
- Formula
- C15H14O4
- SMILES
- COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
- Molecular Weight1
- 258.27
- CAS
- 487-49-0
- 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° | -252.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.96 | Crippen Calculated Property | |
| logPoct/wat | 2.532 | Crippen Calculated Property | |
| McVol | 193.870 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Tboil | 838.47 | K | Joback Calculated Property |
| Tc | 1089.81 | K | Joback Calculated Property |
| Tfus | 619.77 | K | Joback Calculated Property |
| Vc | 0.616 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.70; 630.64] | J/mol×K | [838.47; 1089.81] | 
|
| Cp,gas | 559.70 | J/mol×K | 838.47 | Joback Calculated Property |
| Cp,gas | 572.04 | J/mol×K | 880.36 | Joback Calculated Property |
| Cp,gas | 583.95 | J/mol×K | 922.25 | Joback Calculated Property |
| Cp,gas | 595.58 | J/mol×K | 964.14 | Joback Calculated Property |
| Cp,gas | 607.12 | J/mol×K | 1006.03 | Joback Calculated Property |
| Cp,gas | 618.75 | J/mol×K | 1047.92 | Joback Calculated Property |
| Cp,gas | 630.64 | J/mol×K | 1089.81 | Joback Calculated Property |
| η | [0.0000004; 0.0000077] | Pa×s | [619.77; 838.47] |
|
| η | 0.0000077 | Pa×s | 619.77 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 656.22 | Joback Calculated Property |
| η | 0.0000023 | Pa×s | 692.67 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 729.12 | Joback Calculated Property |
| η | 0.0000009 | Pa×s | 765.57 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 802.02 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 838.47 | Joback Calculated Property |
Similar Compounds
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Sources
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