- InChI
- InChI=1S/C26H26O4/c1-3-5-11-25(27)29-23-17-13-21(14-18-23)9-7-8-10-22-15-19-24(20-16-22)30-26(28)12-6-4-2/h13-20H,3-6,11-12H2,1-2H3
- InChI Key
- OVPLFIJMKWNQRE-UHFFFAOYSA-N
- Formula
- C26H26O4
- SMILES
-
CCCCC(=O)Oc1ccc(C#CC#Cc2ccc(OC
(=O)CCCC)cc2)cc1 - Molecular Weight1
- 402.48
- CAS
- 71332-83-7
- 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 | 0.9311 | Relay (1.0) Calculated Property | |
| ΔfG° | 311.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.281 | Crippen Calculated Property | |
| McVol | 327.360 | ml/mol | McGowan Calculated Property |
| Pc | 1402.74 | kPa | Joback Calculated Property |
| Tboil | 694.23 | K | Relay (1.0) Calculated Property |
| Tc | 944.46 | K | Relay (1.0) Calculated Property |
| Tfus | 387.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.167 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1019.94; 1073.47] | J/mol×K | [1028.18; 1274.54] | 
|
| Cp,gas | 1019.94 | J/mol×K | 1028.18 | Joback Calculated Property |
| Cp,gas | 1032.55 | J/mol×K | 1069.24 | Joback Calculated Property |
| Cp,gas | 1043.62 | J/mol×K | 1110.30 | Joback Calculated Property |
| Cp,gas | 1053.19 | J/mol×K | 1151.36 | Joback Calculated Property |
| Cp,gas | 1061.32 | J/mol×K | 1192.42 | Joback Calculated Property |
| Cp,gas | 1068.06 | J/mol×K | 1233.48 | Joback Calculated Property |
| Cp,gas | 1073.47 | J/mol×K | 1274.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Dipentanoyloxydiphenyldiacetylene.
Sources
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