- InChI
- InChI=1S/C14H12O4/c1-3-13(15)18-12-10-8-6-4-5-7-9-11-14(16)17-2/h3,8-11H,1,12H2,2H3/b10-8+,11-9+
- InChI Key
- IJYWDRVUCDHGHI-GFULKKFKSA-N
- Formula
- C14H12O4
- SMILES
- C=CC(=O)OCC=CC#CC#CC=CC(=O)OC
- Molecular Weight1
- 244.24
- ω : Acentric Factor.
- 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).
- 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 | 0.4751 | Relay (1.0) Calculated Property | |
| ΔfG° | 253.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -68.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.008 | Crippen Calculated Property | |
| McVol | 192.900 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Inp | [1540.00; 1540.00] |
|
|
| Inp | 1540.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Tboil | 534.84 | K | Relay (1.0) Calculated Property |
| Tc | 728.39 | K | Relay (1.0) Calculated Property |
| Tfus | 335.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.43; 529.02] | J/mol×K | [695.30; 925.56] |
|
| Cp,gas | 464.43 | J/mol×K | 695.30 | Joback Calculated Property |
| Cp,gas | 477.07 | J/mol×K | 733.68 | Joback Calculated Property |
| Cp,gas | 488.91 | J/mol×K | 772.05 | Joback Calculated Property |
| Cp,gas | 499.99 | J/mol×K | 810.43 | Joback Calculated Property |
| Cp,gas | 510.35 | J/mol×K | 848.81 | Joback Calculated Property |
| Cp,gas | 520.01 | J/mol×K | 887.19 | Joback Calculated Property |
| Cp,gas | 529.02 | J/mol×K | 925.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E)-Matricaria ester.
Sources
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