- InChI
- InChI=1S/C20H22O3/c1-4-22-18-10-6-16(7-11-18)15(3)14-20(21)17-8-12-19(13-9-17)23-5-2/h6-14H,4-5H2,1-3H3/b15-14+
- InChI Key
- SSRURNGOFBSAOS-CCEZHUSRSA-N
- Formula
- C20H22O3
- SMILES
-
CCOc1ccc(C(=O)C=C(C)c2ccc(OCC)
cc2)cc1 - Molecular Weight1
- 310.39
- CAS
- 116373-31-0
- 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° | 55.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.59 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.770 | Crippen Calculated Property | |
| McVol | 254.150 | ml/mol | McGowan Calculated Property |
| Pc | 1707.53 | kPa | Joback Calculated Property |
| Tboil | 823.07 | K | Joback Calculated Property |
| Tc | 1050.95 | K | Joback Calculated Property |
| Tfus | 468.39 | K | Joback Calculated Property |
| Vc | 0.963 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.23; 817.16] | J/mol×K | [823.07; 1050.95] | 
|
| Cp,gas | 739.23 | J/mol×K | 823.07 | Joback Calculated Property |
| Cp,gas | 755.13 | J/mol×K | 861.05 | Joback Calculated Property |
| Cp,gas | 769.80 | J/mol×K | 899.03 | Joback Calculated Property |
| Cp,gas | 783.29 | J/mol×K | 937.01 | Joback Calculated Property |
| Cp,gas | 795.64 | J/mol×K | 974.99 | Joback Calculated Property |
| Cp,gas | 806.91 | J/mol×K | 1012.97 | Joback Calculated Property |
| Cp,gas | 817.16 | J/mol×K | 1050.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E)-1,3-bis(4-ethoxyphenyl)-2-buten-1-one.
Sources
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