- InChI
- InChI=1S/C20H14O4/c1-15(21)23-19-11-7-17(8-12-19)5-3-4-6-18-9-13-20(14-10-18)24-16(2)22/h7-14H,1-2H3
- InChI Key
- FORJWTANJSWIHA-UHFFFAOYSA-N
- Formula
- C20H14O4
- SMILES
-
CC(=O)Oc1ccc(C#CC#Cc2ccc(OC(C)
=O)cc2)cc1 - Molecular Weight1
- 318.32
- CAS
- 92341-23-6
- 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).
- 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 | 0.6758 | Relay (1.0) Calculated Property | |
| ΔfG° | 260.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.940 | Crippen Calculated Property | |
| McVol | 242.820 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Tboil | 656.19 | K | Relay (1.0) Calculated Property |
| Tc | 909.61 | K | Relay (1.0) Calculated Property |
| Tfus | 438.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.04; 726.53] | J/mol×K | [890.90; 1155.43] | 
|
| Cp,gas | 672.04 | J/mol×K | 890.90 | Joback Calculated Property |
| Cp,gas | 684.77 | J/mol×K | 934.99 | Joback Calculated Property |
| Cp,gas | 696.00 | J/mol×K | 979.08 | Joback Calculated Property |
| Cp,gas | 705.76 | J/mol×K | 1023.17 | Joback Calculated Property |
| Cp,gas | 714.08 | J/mol×K | 1067.26 | Joback Calculated Property |
| Cp,gas | 720.99 | J/mol×K | 1111.34 | Joback Calculated Property |
| Cp,gas | 726.53 | J/mol×K | 1155.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Diethanoyloxydiphenyldiacetylene.
Sources
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