- InChI
- InChI=1S/C18H34O4/c1-3-5-10-13-16(4-2)22-18(21)15-12-9-7-6-8-11-14-17(19)20/h16H,3-15H2,1-2H3,(H,19,20)
- InChI Key
- JGQWKLHHTRIVSL-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCCC(CC)OC(=O)CCCCCCCCC(=O)O
- Molecular Weight1
- 314.46
- 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).
- 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 | 1.1121 | Relay (1.0) Calculated Property | |
| ΔfG° | -401.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1078.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.094 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1334.91 | kPa | Joback Calculated Property |
| Tboil | 614.09 | K | Relay (1.0) Calculated Property |
| Tc | 800.36 | K | Relay (1.0) Calculated Property |
| Tfus | 321.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.044 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [889.30; 971.26] | J/mol×K | [833.14; 1020.80] | 
|
| Cp,gas | 889.30 | J/mol×K | 833.14 | Joback Calculated Property |
| Cp,gas | 905.22 | J/mol×K | 864.42 | Joback Calculated Property |
| Cp,gas | 920.20 | J/mol×K | 895.69 | Joback Calculated Property |
| Cp,gas | 934.27 | J/mol×K | 926.97 | Joback Calculated Property |
| Cp,gas | 947.45 | J/mol×K | 958.24 | Joback Calculated Property |
| Cp,gas | 959.77 | J/mol×K | 989.52 | Joback Calculated Property |
| Cp,gas | 971.26 | J/mol×K | 1020.80 | Joback Calculated Property |
| η | [0.0000140; 0.0009805] | Pa×s | [460.53; 833.14] |
|
| η | 0.0009805 | Pa×s | 460.53 | Joback Calculated Property |
| η | 0.0003169 | Pa×s | 522.63 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 584.73 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 646.84 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 708.94 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 771.04 | Joback Calculated Property |
| η | 0.0000140 | Pa×s | 833.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mono-2-ethyl hexyl sebacate.
Sources
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