- InChI
- InChI=1S/C22H18O4/c1-3-21(23)25-19-13-9-17(10-14-19)7-5-6-8-18-11-15-20(16-12-18)26-22(24)4-2/h9-16H,3-4H2,1-2H3
- InChI Key
- YLZSROSRPJTIPP-UHFFFAOYSA-N
- Formula
- C22H18O4
- SMILES
-
CCC(=O)Oc1ccc(C#CC#Cc2ccc(OC(=
O)CC)cc2)cc1 - Molecular Weight1
- 346.38
- CAS
- 92341-24-7
- 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° | 277.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 7.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 3.721 | Crippen Calculated Property | |
| McVol | 271.000 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Tboil | 936.66 | K | Joback Calculated Property |
| Tc | 1191.99 | K | Joback Calculated Property |
| Tfus | 772.10 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [785.47; 840.48] | J/mol×K | [936.66; 1191.99] | 
|
| Cp,gas | 785.47 | J/mol×K | 936.66 | Joback Calculated Property |
| Cp,gas | 798.28 | J/mol×K | 979.22 | Joback Calculated Property |
| Cp,gas | 809.59 | J/mol×K | 1021.77 | Joback Calculated Property |
| Cp,gas | 819.42 | J/mol×K | 1064.33 | Joback Calculated Property |
| Cp,gas | 827.82 | J/mol×K | 1106.88 | Joback Calculated Property |
| Cp,gas | 834.83 | J/mol×K | 1149.44 | Joback Calculated Property |
| Cp,gas | 840.48 | J/mol×K | 1191.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Dipropanoyloxydiphenyldiacetylene.
Sources
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