- InChI
- InChI=1S/C22H38O4/c1-4-6-7-8-13-16-19-25-21(23)17-14-11-9-10-12-15-18-22(24)26-20(3)5-2/h2,20H,4,6-19H2,1,3H3
- InChI Key
- CVJWVMVFLQGXEN-UHFFFAOYSA-N
- Formula
- C22H38O4
- SMILES
-
C#CC(C)OC(=O)CCCCCCCCC(=O)OCCC
CCCCC - Molecular Weight1
- 366.53
- 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 | 0.9926 | Relay (1.0) Calculated Property | |
| ΔfG° | -112.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -857.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.576 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 1052.77 | kPa | Joback Calculated Property |
| Inp | 2489.00 | NIST | |
| Tboil | 626.33 | K | Relay (1.0) Calculated Property |
| Tc | 798.98 | K | Relay (1.0) Calculated Property |
| Tfus | 314.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.223 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1034.77; 1126.96] | J/mol×K | [845.02; 1036.58] | 
|
| Cp,gas | 1034.77 | J/mol×K | 845.02 | Joback Calculated Property |
| Cp,gas | 1052.81 | J/mol×K | 876.95 | Joback Calculated Property |
| Cp,gas | 1069.74 | J/mol×K | 908.87 | Joback Calculated Property |
| Cp,gas | 1085.59 | J/mol×K | 940.80 | Joback Calculated Property |
| Cp,gas | 1100.39 | J/mol×K | 972.73 | Joback Calculated Property |
| Cp,gas | 1114.17 | J/mol×K | 1004.66 | Joback Calculated Property |
| Cp,gas | 1126.96 | J/mol×K | 1036.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, but-3-yn-2-yl octyl ester.
Sources
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