- InChI
- InChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3+,10-9+
- InChI Key
- GXPDZHWFJLUFGY-SCPMJEMWSA-N
- Formula
- C11H10O2
- SMILES
- CC=CC#CC#CC=CC(=O)OC
- Molecular Weight1
- 174.20
- 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).
- 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° | 373.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 263.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 1.298 | Crippen Calculated Property | |
| McVol | 147.490 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Inp | 1597.00 | NIST | |
| Tboil | 553.69 | K | Joback Calculated Property |
| Tc | 789.55 | K | Joback Calculated Property |
| Tfus | 487.93 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.16; 370.15] | J/mol×K | [553.69; 789.55] | 
|
| Cp,gas | 306.16 | J/mol×K | 553.69 | Joback Calculated Property |
| Cp,gas | 318.50 | J/mol×K | 593.00 | Joback Calculated Property |
| Cp,gas | 330.13 | J/mol×K | 632.31 | Joback Calculated Property |
| Cp,gas | 341.07 | J/mol×K | 671.62 | Joback Calculated Property |
| Cp,gas | 351.35 | J/mol×K | 710.93 | Joback Calculated Property |
| Cp,gas | 361.04 | J/mol×K | 750.24 | Joback Calculated Property |
| Cp,gas | 370.15 | J/mol×K | 789.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(E),8(E)-Matricaria ester.
Sources
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