- InChI
- InChI=1S/C36H46O4/c1-3-5-7-9-11-13-15-21-35(37)39-33-27-23-31(24-28-33)19-17-18-20-32-25-29-34(30-26-32)40-36(38)22-16-14-12-10-8-6-4-2/h23-30H,3-16,21-22H2,1-2H3
- InChI Key
- PBQTWTYWXMTXRB-UHFFFAOYSA-N
- Formula
- C36H46O4
- SMILES
-
CCCCCCCCCC(=O)Oc1ccc(C#CC#Cc2c
cc(OC(=O)CCCCCCCCC)cc2)cc1 - Molecular Weight1
- 542.75
- CAS
- 92341-28-1
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 1.3234 | Relay (1.0) Calculated Property | |
| ΔfG° | 395.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 88.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.182 | Crippen Calculated Property | |
| McVol | 468.260 | ml/mol | McGowan Calculated Property |
| Pc | 758.90 | kPa | Joback Calculated Property |
| Tboil | 763.47 | K | Relay (1.0) Calculated Property |
| Tc | 1006.68 | K | Relay (1.0) Calculated Property |
| Tfus | 386.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.703 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1633.18; 1679.14] | J/mol×K | [1256.98; 1553.80] | 
|
| Cp,gas | 1633.18 | J/mol×K | 1256.98 | Joback Calculated Property |
| Cp,gas | 1645.67 | J/mol×K | 1306.45 | Joback Calculated Property |
| Cp,gas | 1656.00 | J/mol×K | 1355.92 | Joback Calculated Property |
| Cp,gas | 1664.33 | J/mol×K | 1405.39 | Joback Calculated Property |
| Cp,gas | 1670.84 | J/mol×K | 1454.86 | Joback Calculated Property |
| Cp,gas | 1675.72 | J/mol×K | 1504.33 | Joback Calculated Property |
| Cp,gas | 1679.14 | J/mol×K | 1553.80 | Joback Calculated Property |
| ΔfusH | 42.20 | kJ/mol | 403.00 | NIST |
Similar Compounds
Find more compounds similar to 4,4'-Didecanoyloxydiphenyldiacetylene.
Sources
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