- InChI
- InChI=1S/C20H34O4/c1-4-7-17-23-19(21)15-12-10-8-9-11-13-16-20(22)24-18(6-3)14-5-2/h18H,4,6-13,15-17H2,1-3H3
- InChI Key
- SUKFQKDHPGSEJP-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OC
CCC - 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 | 0.8969 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.796 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1207.31 | kPa | Joback Calculated Property |
| Inp | 2343.00 | NIST | |
| Tboil | 598.49 | K | Relay (1.0) Calculated Property |
| Tc | 786.81 | K | Relay (1.0) Calculated Property |
| Tfus | 289.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.105 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [920.30; 1009.43] | J/mol×K | [818.14; 1010.24] | 
|
| Cp,gas | 920.30 | J/mol×K | 818.14 | Joback Calculated Property |
| Cp,gas | 937.76 | J/mol×K | 850.16 | Joback Calculated Property |
| Cp,gas | 954.15 | J/mol×K | 882.17 | Joback Calculated Property |
| Cp,gas | 969.50 | J/mol×K | 914.19 | Joback Calculated Property |
| Cp,gas | 983.82 | J/mol×K | 946.20 | Joback Calculated Property |
| Cp,gas | 997.13 | J/mol×K | 978.22 | Joback Calculated Property |
| Cp,gas | 1009.43 | J/mol×K | 1010.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl hex-4-yn-3-yl ester.
Sources
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