- InChI
- InChI=1S/C17H18O3/c1-19-17(18)9-5-6-14-10-12-16(13-11-14)20-15-7-3-2-4-8-15/h2-4,7-8,10-13H,5-6,9H2,1H3
- InChI Key
- VTGLGZNRGWSTHU-UHFFFAOYSA-N
- Formula
- C17H18O3
- SMILES
- COC(=O)CCCc1ccc(Oc2ccccc2)cc1
- Molecular Weight1
- 270.32
- CAS
- 24254-59-9
- 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).
- 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° | -31.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.22 | kJ/mol | Joback Calculated Property |
| IE | 7.90 ± 0.20 | eV | NIST |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.975 | Crippen Calculated Property | |
| McVol | 216.180 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Tboil | 745.41 | K | Joback Calculated Property |
| Tc | 971.98 | K | Joback Calculated Property |
| Tfus | 441.10 | K | Joback Calculated Property |
| Vc | 0.814 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.41; 675.53] | J/mol×K | [745.41; 971.98] | 
|
| Cp,gas | 598.41 | J/mol×K | 745.41 | Joback Calculated Property |
| Cp,gas | 614.18 | J/mol×K | 783.17 | Joback Calculated Property |
| Cp,gas | 628.74 | J/mol×K | 820.93 | Joback Calculated Property |
| Cp,gas | 642.13 | J/mol×K | 858.69 | Joback Calculated Property |
| Cp,gas | 654.37 | J/mol×K | 896.46 | Joback Calculated Property |
| Cp,gas | 665.49 | J/mol×K | 934.22 | Joback Calculated Property |
| Cp,gas | 675.53 | J/mol×K | 971.98 | Joback Calculated Property |
| η | [0.0000844; 0.0007907] | Pa×s | [441.10; 745.41] |
|
| η | 0.0007907 | Pa×s | 441.10 | Joback Calculated Property |
| η | 0.0004493 | Pa×s | 491.82 | Joback Calculated Property |
| η | 0.0002838 | Pa×s | 542.54 | Joback Calculated Property |
| η | 0.0001939 | Pa×s | 593.25 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 643.97 | Joback Calculated Property |
| η | 0.0001070 | Pa×s | 694.69 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 745.41 | Joback Calculated Property |
Similar Compounds
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Sources
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