- InChI
- InChI=1S/C34H42O4/c1-3-5-7-9-11-13-19-33(35)37-31-25-21-29(22-26-31)17-15-16-18-30-23-27-32(28-24-30)38-34(36)20-14-12-10-8-6-4-2/h21-28H,3-14,19-20H2,1-2H3
- InChI Key
- ACLSGLFFDMIOJG-UHFFFAOYSA-N
- Formula
- C34H42O4
- SMILES
-
CCCCCCCCC(=O)Oc1ccc(C#CC#Cc2cc
c(OC(=O)CCCCCCCC)cc2)cc1 - Molecular Weight1
- 514.69
- CAS
- 71332-85-9
- 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° | 378.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 82.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.77 | kJ/mol | Joback Calculated Property |
| log10WS | -11.01 | Crippen Calculated Property | |
| logPoct/wat | 8.402 | Crippen Calculated Property | |
| McVol | 440.080 | ml/mol | McGowan Calculated Property |
| Pc | 846.03 | kPa | Joback Calculated Property |
| Tboil | 1211.22 | K | Joback Calculated Property |
| Tc | 1487.55 | K | Joback Calculated Property |
| Tfus | 907.34 | K | Joback Calculated Property |
| Vc | 1.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1508.53; 1555.83] | J/mol×K | [1211.22; 1487.55] | 
|
| Cp,gas | 1508.53 | J/mol×K | 1211.22 | Joback Calculated Property |
| Cp,gas | 1520.88 | J/mol×K | 1257.28 | Joback Calculated Property |
| Cp,gas | 1531.26 | J/mol×K | 1303.33 | Joback Calculated Property |
| Cp,gas | 1539.82 | J/mol×K | 1349.39 | Joback Calculated Property |
| Cp,gas | 1546.68 | J/mol×K | 1395.44 | Joback Calculated Property |
| Cp,gas | 1551.97 | J/mol×K | 1441.50 | Joback Calculated Property |
| Cp,gas | 1555.83 | J/mol×K | 1487.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Dinonanoyloxydiphenyldiacetylene.
Sources
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