- InChI
- InChI=1S/C25H46O4/c1-4-5-6-7-10-13-16-21-28-24(26)19-14-11-8-9-12-15-20-25(27)29-22-17-18-23(2)3/h10,13,23H,4-9,11-12,14-22H2,1-3H3/b13-10-
- InChI Key
- XIJVFPKPYORUSU-RAXLEYEMSA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCC=CCCOC(=O)CCCCCCCCC(=O)O
CCCC(C)C - Molecular Weight1
- 410.63
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -230.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.13 | kJ/mol | Joback Calculated Property |
| log10WS | -7.62 | Crippen Calculated Property | |
| logPoct/wat | 7.156 | Crippen Calculated Property | |
| McVol | 373.690 | ml/mol | McGowan Calculated Property |
| Pc | 832.42 | kPa | Joback Calculated Property |
| Inp | 2818.00 | NIST | |
| Tboil | 927.70 | K | Joback Calculated Property |
| Tc | 1137.27 | K | Joback Calculated Property |
| Tfus | 495.75 | K | Joback Calculated Property |
| Vc | 1.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1254.19; 1354.51] | J/mol×K | [927.70; 1137.27] | 
|
| Cp,gas | 1254.19 | J/mol×K | 927.70 | Joback Calculated Property |
| Cp,gas | 1274.21 | J/mol×K | 962.63 | Joback Calculated Property |
| Cp,gas | 1292.84 | J/mol×K | 997.56 | Joback Calculated Property |
| Cp,gas | 1310.14 | J/mol×K | 1032.49 | Joback Calculated Property |
| Cp,gas | 1326.14 | J/mol×K | 1067.41 | Joback Calculated Property |
| Cp,gas | 1340.92 | J/mol×K | 1102.34 | Joback Calculated Property |
| Cp,gas | 1354.51 | J/mol×K | 1137.27 | Joback Calculated Property |
| η | [0.0000202; 0.0004981] | Pa×s | [495.75; 927.70] |
|
| η | 0.0004981 | Pa×s | 495.75 | Joback Calculated Property |
| η | 0.0002080 | Pa×s | 567.74 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 639.73 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 711.72 | Joback Calculated Property |
| η | 0.0000396 | Pa×s | 783.72 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 855.71 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 927.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, cis-non-3-enyl isohexyl ester.
Sources
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