- InChI
- InChI=1S/C16H28O5/c1-4-20-15(18)11-9-7-5-6-8-10-12-16(19)21-14(3)13(2)17/h14H,4-12H2,1-3H3
- InChI Key
- MOZSPBJGHKTCQW-UHFFFAOYSA-N
- Formula
- C16H28O5
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OC(C)C(C)
=O - Molecular Weight1
- 300.39
- 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 | 0.8791 | Relay (1.0) Calculated Property | |
| ΔfG° | -668.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1131.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| McVol | 252.750 | ml/mol | McGowan Calculated Property |
| Pc | 1399.59 | kPa | Joback Calculated Property |
| Inp | [2068.00; 2068.00] |
|
|
| Inp | 2068.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Tboil | 576.59 | K | Relay (1.0) Calculated Property |
| Tc | 765.96 | K | Relay (1.0) Calculated Property |
| Tfus | 310.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.961 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.62; 824.29] | J/mol×K | [735.55; 916.54] |
|
| Cp,gas | 743.62 | J/mol×K | 735.55 | Joback Calculated Property |
| Cp,gas | 759.38 | J/mol×K | 765.72 | Joback Calculated Property |
| Cp,gas | 774.20 | J/mol×K | 795.88 | Joback Calculated Property |
| Cp,gas | 788.09 | J/mol×K | 826.05 | Joback Calculated Property |
| Cp,gas | 801.06 | J/mol×K | 856.21 | Joback Calculated Property |
| Cp,gas | 813.12 | J/mol×K | 886.38 | Joback Calculated Property |
| Cp,gas | 824.29 | J/mol×K | 916.54 | Joback Calculated Property |
| η | [0.0000661; 0.0021380] | Pa×s | [389.67; 735.55] |
|
| η | 0.0021380 | Pa×s | 389.67 | Joback Calculated Property |
| η | 0.0008247 | Pa×s | 447.32 | Joback Calculated Property |
| η | 0.0003954 | Pa×s | 504.96 | Joback Calculated Property |
| η | 0.0002204 | Pa×s | 562.61 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 620.26 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 677.90 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 735.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl 3-oxobut-2-yl ester.
Sources
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