- InChI
- InChI=1S/C18H16O3/c1-2-21-18(20)16(13-14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13+
- InChI Key
- BHKXLHNAIARBLO-DTQAZKPQSA-N
- Formula
- C18H16O3
- SMILES
-
CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc
ccc1 - Molecular Weight1
- 280.32
- CAS
- 17451-18-2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 34.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.15 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 3.516 | Crippen Calculated Property | |
| McVol | 221.670 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Tboil | 798.80 | K | Joback Calculated Property |
| Tc | 1040.45 | K | Joback Calculated Property |
| Tfus | 448.51 | K | Joback Calculated Property |
| Vc | 0.839 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.40; 685.76] | J/mol×K | [798.80; 1040.45] | 
|
| Cp,gas | 616.40 | J/mol×K | 798.80 | Joback Calculated Property |
| Cp,gas | 630.70 | J/mol×K | 839.08 | Joback Calculated Property |
| Cp,gas | 643.79 | J/mol×K | 879.35 | Joback Calculated Property |
| Cp,gas | 655.75 | J/mol×K | 919.63 | Joback Calculated Property |
| Cp,gas | 666.67 | J/mol×K | 959.90 | Joback Calculated Property |
| Cp,gas | 676.64 | J/mol×K | 1000.18 | Joback Calculated Property |
| Cp,gas | 685.76 | J/mol×K | 1040.45 | Joback Calculated Property |
Similar Compounds
Sources
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