- InChI
- InChI=1S/C21H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-8-10-12-16-20(22)24-18-14-6-4-2/h4H,2-3,5-19H2,1H3
- InChI Key
- XVIGGHIBKXBZAQ-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
C=CCCCOC(=O)CCCCCCCCC(=O)OCCCC
CC - Molecular Weight1
- 354.52
- 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 | 1.0390 | Relay (1.0) Calculated Property | |
| ΔfG° | -406.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -991.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.740 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 987.64 | kPa | Joback Calculated Property |
| Inp | [2488.00; 2488.00] |
|
|
| Inp | 2488.00 | NIST | |
| Inp | 2488.00 | NIST | |
| Tboil | 643.24 | K | Relay (1.0) Calculated Property |
| Tc | 799.06 | K | Relay (1.0) Calculated Property |
| Tfus | 273.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.205 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [985.95; 1079.76] | J/mol×K | [793.20; 973.58] |
|
| Cp,gas | 985.95 | J/mol×K | 793.20 | Joback Calculated Property |
| Cp,gas | 1004.23 | J/mol×K | 823.26 | Joback Calculated Property |
| Cp,gas | 1021.42 | J/mol×K | 853.33 | Joback Calculated Property |
| Cp,gas | 1037.54 | J/mol×K | 883.39 | Joback Calculated Property |
| Cp,gas | 1052.63 | J/mol×K | 913.45 | Joback Calculated Property |
| Cp,gas | 1066.69 | J/mol×K | 943.51 | Joback Calculated Property |
| Cp,gas | 1079.76 | J/mol×K | 973.58 | Joback Calculated Property |
| η | [0.0000386; 0.0013427] | Pa×s | [409.33; 793.20] |
|
| η | 0.0013427 | Pa×s | 409.33 | Joback Calculated Property |
| η | 0.0004982 | Pa×s | 473.31 | Joback Calculated Property |
| η | 0.0002341 | Pa×s | 537.29 | Joback Calculated Property |
| η | 0.0001292 | Pa×s | 601.27 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 665.24 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 729.22 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 793.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexyl pent-4-enyl ester.
Sources
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