- InChI
- InChI=1S/C21H40O4/c1-3-5-6-7-10-13-16-19-25-21(23)18-15-12-9-8-11-14-17-20(22)24-4-2/h3-19H2,1-2H3
- InChI Key
- XTIQWTDYLWRFAN-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)OC
C - Molecular Weight1
- 356.54
- ω : Acentric Factor.
- 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).
- 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 | 1.0723 | Relay (1.0) Calculated Property | |
| ΔfG° | -494.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1093.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.964 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 962.08 | kPa | Joback Calculated Property |
| Inp | [2527.00; 2527.00] |
|
|
| Inp | 2527.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 616.20 | K | Relay (1.0) Calculated Property |
| Tc | 792.02 | K | Relay (1.0) Calculated Property |
| Tfus | 288.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.260 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1012.70; 1109.28] | J/mol×K | [796.52; 976.78] |
|
| Cp,gas | 1012.70 | J/mol×K | 796.52 | Joback Calculated Property |
| Cp,gas | 1031.53 | J/mol×K | 826.56 | Joback Calculated Property |
| Cp,gas | 1049.24 | J/mol×K | 856.61 | Joback Calculated Property |
| Cp,gas | 1065.85 | J/mol×K | 886.65 | Joback Calculated Property |
| Cp,gas | 1081.38 | J/mol×K | 916.70 | Joback Calculated Property |
| Cp,gas | 1095.85 | J/mol×K | 946.74 | Joback Calculated Property |
| Cp,gas | 1109.28 | J/mol×K | 976.78 | Joback Calculated Property |
| η | [0.0000362; 0.0013370] | Pa×s | [411.09; 796.52] |
|
| η | 0.0013370 | Pa×s | 411.09 | Joback Calculated Property |
| η | 0.0004878 | Pa×s | 475.33 | Joback Calculated Property |
| η | 0.0002262 | Pa×s | 539.57 | Joback Calculated Property |
| η | 0.0001236 | Pa×s | 603.81 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 668.04 | Joback Calculated Property |
| η | 0.0000507 | Pa×s | 732.28 | Joback Calculated Property |
| η | 0.0000362 | Pa×s | 796.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl nonyl ester.
Sources
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