- InChI
- InChI=1S/C22H38O4/c1-4-7-8-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20(6-3)16-5-2/h20H,4,6-15,17-19H2,1-3H3
- InChI Key
- QDIVWZGIVSAZKY-UHFFFAOYSA-N
- Formula
- C22H38O4
- SMILES
-
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OC
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 | 0.9677 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.576 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 1061.02 | kPa | Joback Calculated Property |
| Inp | 2545.00 | NIST | |
| Tboil | 613.80 | K | Relay (1.0) Calculated Property |
| Tc | 805.83 | K | Relay (1.0) Calculated Property |
| Tfus | 301.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.214 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.39; 1132.41] | J/mol×K | [863.90; 1060.36] | 
|
| Cp,gas | 1041.39 | J/mol×K | 863.90 | Joback Calculated Property |
| Cp,gas | 1059.45 | J/mol×K | 896.64 | Joback Calculated Property |
| Cp,gas | 1076.32 | J/mol×K | 929.39 | Joback Calculated Property |
| Cp,gas | 1092.03 | J/mol×K | 962.13 | Joback Calculated Property |
| Cp,gas | 1106.60 | J/mol×K | 994.87 | Joback Calculated Property |
| Cp,gas | 1120.05 | J/mol×K | 1027.61 | Joback Calculated Property |
| Cp,gas | 1132.41 | J/mol×K | 1060.36 | Joback Calculated Property |
Similar Compounds
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Sources
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