- InChI
- InChI=1S/C38H50O4/c1-3-5-7-9-11-13-15-17-23-37(39)41-35-29-25-33(26-30-35)21-19-20-22-34-27-31-36(32-28-34)42-38(40)24-18-16-14-12-10-8-6-4-2/h25-32H,3-18,23-24H2,1-2H3
- InChI Key
- BBZPTWIPPJLOMY-UHFFFAOYSA-N
- Formula
- C38H50O4
- SMILES
-
CCCCCCCCCCC(=O)Oc1ccc(C#CC#Cc2
ccc(OC(=O)CCCCCCCCCC)cc2)cc1 - Molecular Weight1
- 570.80
- CAS
- 71332-86-0
- 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° | 412.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 93.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.67 | kJ/mol | Joback Calculated Property |
| log10WS | -12.68 | Crippen Calculated Property | |
| logPoct/wat | 9.962 | Crippen Calculated Property | |
| McVol | 496.440 | ml/mol | McGowan Calculated Property |
| Pc | 684.57 | kPa | Joback Calculated Property |
| Tboil | 1302.74 | K | Joback Calculated Property |
| Tc | 1626.69 | K | Joback Calculated Property |
| Tfus | 399.00 ± 1.00 | K | NIST |
| Vc | 1.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1758.49; 1803.72] | J/mol×K | [1302.74; 1626.69] | 
|
| Cp,gas | 1758.49 | J/mol×K | 1302.74 | Joback Calculated Property |
| Cp,gas | 1771.28 | J/mol×K | 1356.73 | Joback Calculated Property |
| Cp,gas | 1781.62 | J/mol×K | 1410.72 | Joback Calculated Property |
| Cp,gas | 1789.78 | J/mol×K | 1464.71 | Joback Calculated Property |
| Cp,gas | 1796.01 | J/mol×K | 1518.70 | Joback Calculated Property |
| Cp,gas | 1800.58 | J/mol×K | 1572.70 | Joback Calculated Property |
| Cp,gas | 1803.72 | J/mol×K | 1626.69 | Joback Calculated Property |
| ΔfusH | 36.20 | kJ/mol | 399.00 | NIST |
Similar Compounds
Find more compounds similar to 4,4'-Diundecanoyloxydiphenyldiacetylene.
Sources
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