- InChI
- InChI=1S/C40H54O4/c1-3-5-7-9-11-13-15-17-19-25-39(41)43-37-31-27-35(28-32-37)23-21-22-24-36-29-33-38(34-30-36)44-40(42)26-20-18-16-14-12-10-8-6-4-2/h27-34H,3-20,25-26H2,1-2H3
- InChI Key
- YYJQUZHMNWZSFS-UHFFFAOYSA-N
- Formula
- C40H54O4
- SMILES
-
CCCCCCCCCCCC(=O)Oc1ccc(C#CC#Cc
2ccc(OC(=O)CCCCCCCCCCC)cc2)cc1 - Molecular Weight1
- 598.85
- CAS
- 92341-29-2
- 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).
- 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° | 429.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 98.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.13 | kJ/mol | Joback Calculated Property |
| log10WS | -13.52 | Crippen Calculated Property | |
| logPoct/wat | 10.742 | Crippen Calculated Property | |
| McVol | 524.620 | ml/mol | McGowan Calculated Property |
| Pc | 620.65 | kPa | Joback Calculated Property |
| Tboil | 1348.50 | K | Joback Calculated Property |
| Tc | 1707.23 | K | Joback Calculated Property |
| Tfus | 401.00 ± 1.00 | K | NIST |
| Vc | 2.031 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1884.40; 1930.22] | J/mol×K | [1348.50; 1707.23] | 
|
| Cp,gas | 1884.40 | J/mol×K | 1348.50 | Joback Calculated Property |
| Cp,gas | 1897.66 | J/mol×K | 1408.29 | Joback Calculated Property |
| Cp,gas | 1908.16 | J/mol×K | 1468.08 | Joback Calculated Property |
| Cp,gas | 1916.28 | J/mol×K | 1527.86 | Joback Calculated Property |
| Cp,gas | 1922.41 | J/mol×K | 1587.65 | Joback Calculated Property |
| Cp,gas | 1926.93 | J/mol×K | 1647.44 | Joback Calculated Property |
| Cp,gas | 1930.22 | J/mol×K | 1707.23 | Joback Calculated Property |
| ΔfusH | 44.00 | kJ/mol | 401.00 | NIST |
Similar Compounds
Find more compounds similar to 4,4'-Didodecanoyloxydiphenyldiacetylene.
Sources
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