- InChI
- InChI=1S/C25H44O4/c1-3-5-6-7-8-9-10-13-16-19-23-29-25(27)21-18-15-12-11-14-17-20-24(26)28-22-4-2/h3-4,7-23H2,1-2H3
- InChI Key
- OYSYFZHSLNGETC-UHFFFAOYSA-N
- Formula
- C25H44O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCCCCCCC(=
O)OCCC - Molecular Weight1
- 408.61
- 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 | 1.1067 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -914.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.748 | Crippen Calculated Property | |
| McVol | 369.390 | ml/mol | McGowan Calculated Property |
| Pc | 882.62 | kPa | Joback Calculated Property |
| Inp | [2923.00; 2923.00] |
|
|
| Inp | 2923.00 | NIST | |
| Inp | 2923.00 | NIST | |
| Tboil | 643.60 | K | Relay (1.0) Calculated Property |
| Tc | 832.96 | K | Relay (1.0) Calculated Property |
| Tfus | 306.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.399 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1227.56; 1321.71] | J/mol×K | [932.98; 1142.70] |
|
| Cp,gas | 1227.56 | J/mol×K | 932.98 | Joback Calculated Property |
| Cp,gas | 1246.71 | J/mol×K | 967.93 | Joback Calculated Property |
| Cp,gas | 1264.43 | J/mol×K | 1002.89 | Joback Calculated Property |
| Cp,gas | 1280.75 | J/mol×K | 1037.84 | Joback Calculated Property |
| Cp,gas | 1295.72 | J/mol×K | 1072.80 | Joback Calculated Property |
| Cp,gas | 1309.36 | J/mol×K | 1107.75 | Joback Calculated Property |
| Cp,gas | 1321.71 | J/mol×K | 1142.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, dodec-9-ynyl propyl ester.
Sources
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