- InChI
- InChI=1S/C22H34O4/c1-5-15-19(7-3)25-21(23)17-13-11-9-10-12-14-18-22(24)26-20(8-4)16-6-2/h19-20H,7-14,17-18H2,1-4H3
- InChI Key
- QQLNDMMAGCZRSB-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OC
(C#CC)CC - Molecular Weight1
- 362.50
- 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 | 0.8454 | Relay (... Calculated Property | |
| ΔfG° | 67.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 57.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.87 | eV | Relay (... Calculated Property |
| log10WS | -5.33 | Relay (... Calculated Property | |
| logPoct/wat | 4.797 | Crippen Calculated Property | |
| McVol | 318.520 | ml/mol | McGowan Calculated Property |
| Pc | 1187.42 | kPa | Joback Calculated Property |
| Inp | 2517.00 | NIST | |
| Tboil | 598.87 | K | Relay (... Calculated Property |
| Tc | 806.58 | K | Relay (... Calculated Property |
| Tfus | 329.61 | K | Relay (... Calculated Property |
| Vc | 1.140 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.98; 1075.80] | J/mol×K | [872.46; 1078.06] | 
|
| Cp,gas | 989.98 | J/mol×K | 872.46 | Joback Calculated Property |
| Cp,gas | 1007.27 | J/mol×K | 906.73 | Joback Calculated Property |
| Cp,gas | 1023.33 | J/mol×K | 940.99 | Joback Calculated Property |
| Cp,gas | 1038.20 | J/mol×K | 975.26 | Joback Calculated Property |
| Cp,gas | 1051.89 | J/mol×K | 1009.52 | Joback Calculated Property |
| Cp,gas | 1064.42 | J/mol×K | 1043.79 | Joback Calculated Property |
| Cp,gas | 1075.80 | J/mol×K | 1078.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(hex-4-yn-3-yl) ester.
Sources
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