- InChI
- InChI=1S/C18H26O4/c1-5-15(3)21-17(19)13-11-9-7-8-10-12-14-18(20)22-16(4)6-2/h1-2,15-16H,7-14H2,3-4H3
- InChI Key
- BZAIQLWYPRLMJI-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
C#CC(C)OC(=O)CCCCCCCCC(=O)OC(C
)C#C - Molecular Weight1
- 306.40
- 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).
- Inp : Non-polar retention indices.
- 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° | 74.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.237 | Crippen Calculated Property | |
| McVol | 262.160 | ml/mol | McGowan Calculated Property |
| Pc | 1547.57 | kPa | Joback Calculated Property |
| Inp | 2031.00 | NIST | |
| Tboil | 743.18 | K | Joback Calculated Property |
| Tc | 936.10 | K | Joback Calculated Property |
| Tfus | 500.88 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.93; 828.03] | J/mol×K | [743.18; 936.10] | 
|
| Cp,gas | 745.93 | J/mol×K | 743.18 | Joback Calculated Property |
| Cp,gas | 761.79 | J/mol×K | 775.33 | Joback Calculated Property |
| Cp,gas | 776.75 | J/mol×K | 807.49 | Joback Calculated Property |
| Cp,gas | 790.83 | J/mol×K | 839.64 | Joback Calculated Property |
| Cp,gas | 804.06 | J/mol×K | 871.79 | Joback Calculated Property |
| Cp,gas | 816.45 | J/mol×K | 903.94 | Joback Calculated Property |
| Cp,gas | 828.03 | J/mol×K | 936.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(but-3-yn-2-yl) ester.
Sources
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