- InChI
- InChI=1S/C18H34O4/c1-3-5-6-13-16-22-18(20)15-12-10-8-7-9-11-14-17(19)21-4-2/h3-16H2,1-2H3
- InChI Key
- PIMNDJYXVOQVSP-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCCCOC(=O)CCCCCCCCC(=O)OCC
- 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).
- 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 | 0.9667 | Relay (1.0) Calculated Property | |
| ΔfG° | -520.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1033.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.794 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Inp | [2193.00; 2193.00] |
|
|
| Inp | 2193.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Tboil | 594.79 | K | Relay (1.0) Calculated Property |
| Tc | 767.95 | K | Relay (1.0) Calculated Property |
| Tfus | 273.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.093 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [833.34; 925.61] | J/mol×K | [727.88; 900.77] |
|
| Cp,gas | 833.34 | J/mol×K | 727.88 | Joback Calculated Property |
| Cp,gas | 851.02 | J/mol×K | 756.70 | Joback Calculated Property |
| Cp,gas | 867.76 | J/mol×K | 785.51 | Joback Calculated Property |
| Cp,gas | 883.58 | J/mol×K | 814.33 | Joback Calculated Property |
| Cp,gas | 898.49 | J/mol×K | 843.14 | Joback Calculated Property |
| Cp,gas | 912.49 | J/mol×K | 871.96 | Joback Calculated Property |
| Cp,gas | 925.61 | J/mol×K | 900.77 | Joback Calculated Property |
| η | [0.0000565; 0.0019774] | Pa×s | [377.28; 727.88] |
|
| η | 0.0019774 | Pa×s | 377.28 | Joback Calculated Property |
| η | 0.0007348 | Pa×s | 435.71 | Joback Calculated Property |
| η | 0.0003451 | Pa×s | 494.15 | Joback Calculated Property |
| η | 0.0001902 | Pa×s | 552.58 | Joback Calculated Property |
| η | 0.0001174 | Pa×s | 611.01 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 669.45 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 727.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl hexyl ester.
Sources
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