- InChI
- InChI=1S/C20H34O4/c1-5-13-18(6-2)24-20(22)15-12-10-8-7-9-11-14-19(21)23-16-17(3)4/h17-18H,6-12,14-16H2,1-4H3
- InChI Key
- RKVQQXFRTCAJIJ-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OC
C(C)C - Molecular Weight1
- 338.48
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8718 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.652 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1214.05 | kPa | Joback Calculated Property |
| Inp | 2299.00 | NIST | |
| Tboil | 597.17 | K | Relay (1.0) Calculated Property |
| Tc | 780.59 | K | Relay (1.0) Calculated Property |
| Tfus | 297.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.102 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [920.80; 1010.33] | J/mol×K | [817.70; 1011.28] | 
|
| Cp,gas | 920.80 | J/mol×K | 817.70 | Joback Calculated Property |
| Cp,gas | 938.39 | J/mol×K | 849.96 | Joback Calculated Property |
| Cp,gas | 954.89 | J/mol×K | 882.23 | Joback Calculated Property |
| Cp,gas | 970.32 | J/mol×K | 914.49 | Joback Calculated Property |
| Cp,gas | 984.69 | J/mol×K | 946.75 | Joback Calculated Property |
| Cp,gas | 998.02 | J/mol×K | 979.02 | Joback Calculated Property |
| Cp,gas | 1010.33 | J/mol×K | 1011.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hex-4-yn-3-yl isobutyl ester.
Sources
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