- InChI
- InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8-
- InChI Key
- DZAPHTCUSDTZAT-NTMALXAHSA-N
- Formula
- C17H16O4
- SMILES
-
COc1cc(C=CC(=O)OCc2ccccc2)ccc1
O - Molecular Weight1
- 284.31
- CAS
- 132336-01-7
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7971 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.157 | Crippen Calculated Property | |
| McVol | 217.750 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [2384.00; 2384.00] |
|
|
| Inp | 2384.00 | NIST | |
| Inp | 2384.00 | NIST | |
| Tboil | 637.62 | K | Relay (1.0) Calculated Property |
| Tc | 921.75 | K | Relay (1.0) Calculated Property |
| Tfus | 384.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.82; 692.59] | J/mol×K | [830.19; 1071.69] |
|
| Cp,gas | 622.82 | J/mol×K | 830.19 | Joback Calculated Property |
| Cp,gas | 636.24 | J/mol×K | 870.44 | Joback Calculated Property |
| Cp,gas | 648.81 | J/mol×K | 910.69 | Joback Calculated Property |
| Cp,gas | 660.61 | J/mol×K | 950.94 | Joback Calculated Property |
| Cp,gas | 671.77 | J/mol×K | 991.19 | Joback Calculated Property |
| Cp,gas | 682.39 | J/mol×K | 1031.44 | Joback Calculated Property |
| Cp,gas | 692.59 | J/mol×K | 1071.69 | Joback Calculated Property |
| η | [0.0000039; 0.0000827] | Pa×s | [547.74; 830.19] |
|
| η | 0.0000827 | Pa×s | 547.74 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 594.82 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 641.89 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 688.96 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 736.04 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 783.12 | Joback Calculated Property |
| η | 0.0000039 | Pa×s | 830.19 | Joback Calculated Property |
Similar Compounds
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Sources
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