- InChI
- InChI=1S/C28H30O4/c1-3-5-7-13-27(29)31-25-19-15-23(16-20-25)11-9-10-12-24-17-21-26(22-18-24)32-28(30)14-8-6-4-2/h15-22H,3-8,13-14H2,1-2H3
- InChI Key
- QGHKREKJSWULHP-UHFFFAOYSA-N
- Formula
- C28H30O4
- SMILES
-
CCCCCC(=O)Oc1ccc(C#CC#Cc2ccc(O
C(=O)CCCCC)cc2)cc1 - Molecular Weight1
- 430.54
- CAS
- 92341-26-9
- 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° | 328.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.41 | kJ/mol | Joback Calculated Property |
| log10WS | -8.50 | Crippen Calculated Property | |
| logPoct/wat | 6.061 | Crippen Calculated Property | |
| McVol | 355.540 | ml/mol | McGowan Calculated Property |
| Pc | 1220.85 | kPa | Joback Calculated Property |
| Tboil | 1073.94 | K | Joback Calculated Property |
| Tc | 1321.16 | K | Joback Calculated Property |
| Tfus | 839.72 | K | Joback Calculated Property |
| Vc | 1.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1140.12; 1192.25] | J/mol×K | [1073.94; 1321.16] | 
|
| Cp,gas | 1140.12 | J/mol×K | 1073.94 | Joback Calculated Property |
| Cp,gas | 1152.59 | J/mol×K | 1115.14 | Joback Calculated Property |
| Cp,gas | 1163.46 | J/mol×K | 1156.35 | Joback Calculated Property |
| Cp,gas | 1172.79 | J/mol×K | 1197.55 | Joback Calculated Property |
| Cp,gas | 1180.66 | J/mol×K | 1238.76 | Joback Calculated Property |
| Cp,gas | 1187.12 | J/mol×K | 1279.96 | Joback Calculated Property |
| Cp,gas | 1192.25 | J/mol×K | 1321.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Dihexanoyloxydiphenyldiacetylene.
Sources
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