- InChI
- InChI=1S/C16H16O3/c1-12(16(17)18-2)13-7-6-10-15(11-13)19-14-8-4-3-5-9-14/h3-12H,1-2H3
- InChI Key
- FUOQIQZCJJDBGD-UHFFFAOYSA-N
- Formula
- C16H16O3
- SMILES
- COC(=O)C(C)c1cccc(Oc2ccccc2)c1
- Molecular Weight1
- 256.30
- CAS
- 66202-87-7
- 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° | -42.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.755 | Crippen Calculated Property | |
| McVol | 202.090 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Inp | 1970.00 | NIST | |
| Tboil | 722.09 | K | Joback Calculated Property |
| Tc | 957.04 | K | Joback Calculated Property |
| Tfus | 414.83 | K | Joback Calculated Property |
| Vc | 0.751 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.99; 621.69] | J/mol×K | [722.09; 957.04] | 
|
| Cp,gas | 544.99 | J/mol×K | 722.09 | Joback Calculated Property |
| Cp,gas | 560.79 | J/mol×K | 761.25 | Joback Calculated Property |
| Cp,gas | 575.35 | J/mol×K | 800.41 | Joback Calculated Property |
| Cp,gas | 588.68 | J/mol×K | 839.56 | Joback Calculated Property |
| Cp,gas | 600.83 | J/mol×K | 878.72 | Joback Calculated Property |
| Cp,gas | 611.82 | J/mol×K | 917.88 | Joback Calculated Property |
| Cp,gas | 621.69 | J/mol×K | 957.04 | Joback Calculated Property |
| η | [0.0000877; 0.0009881] | Pa×s | [414.83; 722.09] |
|
| η | 0.0009881 | Pa×s | 414.83 | Joback Calculated Property |
| η | 0.0005287 | Pa×s | 466.04 | Joback Calculated Property |
| η | 0.0003202 | Pa×s | 517.25 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 568.46 | Joback Calculated Property |
| η | 0.0001506 | Pa×s | 619.67 | Joback Calculated Property |
| η | 0.0001126 | Pa×s | 670.88 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 722.09 | Joback Calculated Property |
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Sources
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