- InChI
- InChI=1S/C30H54O4/c1-3-5-7-9-11-12-13-16-20-24-28-34-30(32)26-22-18-15-14-17-21-25-29(31)33-27-23-19-10-8-6-4-2/h3-4,6,8-28H2,1-2H3
- InChI Key
- UPDOBTXXBBVEOE-UHFFFAOYSA-N
- Formula
- C30H54O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCCCCCCC(=
O)OCCCCCCCC - Molecular Weight1
- 478.75
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2810 | Relay (... Calculated Property | |
| ΔfG° | -63.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1016.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 82.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.13 | kJ/mol | Relay (... Calculated Property |
| IE | 9.26 | eV | Relay (... Calculated Property |
| log10WS | -7.73 | Relay (... Calculated Property | |
| logPoct/wat | 8.698 | Crippen Calculated Property | |
| McVol | 439.840 | ml/mol | McGowan Calculated Property |
| Pc | 676.05 | kPa | Joback Calculated Property |
| Inp | 3429.00 | NIST | |
| Tboil | 675.49 | K | Relay (... Calculated Property |
| Tc | 866.43 | K | Relay (... Calculated Property |
| Tfus | 316.82 | K | Relay (... Calculated Property |
| Vc | 1.672 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1547.91; 1646.96] | J/mol×K | [1047.38; 1302.61] | 
|
| Cp,gas | 1547.91 | J/mol×K | 1047.38 | Joback Calculated Property |
| Cp,gas | 1569.65 | J/mol×K | 1089.92 | Joback Calculated Property |
| Cp,gas | 1589.18 | J/mol×K | 1132.46 | Joback Calculated Property |
| Cp,gas | 1606.59 | J/mol×K | 1175.00 | Joback Calculated Property |
| Cp,gas | 1621.96 | J/mol×K | 1217.54 | Joback Calculated Property |
| Cp,gas | 1635.38 | J/mol×K | 1260.08 | Joback Calculated Property |
| Cp,gas | 1646.96 | J/mol×K | 1302.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, dodec-9-ynyl octyl ester.
Sources
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