- InChI
- InChI=1S/C24H42O4/c1-4-7-8-9-14-17-21-27-23(25)19-15-12-10-11-13-16-20-24(26)28-22(6-3)18-5-2/h22H,4,6-17,19-21H2,1-3H3
- InChI Key
- KVCLJMSDPDBXBH-UHFFFAOYSA-N
- Formula
- C24H42O4
- SMILES
-
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OC
CCCCCCC - Molecular Weight1
- 394.59
- 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° | -116.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.09 | kJ/mol | Joback Calculated Property |
| log10WS | -7.50 | Crippen Calculated Property | |
| logPoct/wat | 6.356 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Pc | 939.79 | kPa | Joback Calculated Property |
| Inp | [2719.00; 2719.00] |
|
|
| Inp | 2719.00 | NIST | |
| Inp | 2719.00 | NIST | |
| Tboil | 909.66 | K | Joback Calculated Property |
| Tc | 1113.76 | K | Joback Calculated Property |
| Tfus | 595.66 | K | Joback Calculated Property |
| Vc | 1.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1165.20; 1257.97] | J/mol×K | [909.66; 1113.76] |
|
| Cp,gas | 1165.20 | J/mol×K | 909.66 | Joback Calculated Property |
| Cp,gas | 1183.91 | J/mol×K | 943.68 | Joback Calculated Property |
| Cp,gas | 1201.29 | J/mol×K | 977.69 | Joback Calculated Property |
| Cp,gas | 1217.35 | J/mol×K | 1011.71 | Joback Calculated Property |
| Cp,gas | 1232.13 | J/mol×K | 1045.73 | Joback Calculated Property |
| Cp,gas | 1245.66 | J/mol×K | 1079.74 | Joback Calculated Property |
| Cp,gas | 1257.97 | J/mol×K | 1113.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hex-4-yn-3-yl octyl ester.
Sources
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