- InChI
- InChI=1S/C22H38O4/c1-3-5-7-8-9-10-11-12-13-15-20-26-22(24)18-16-17-21(23)25-19-14-6-4-2/h6,13-15H,3-5,7-12,16-20H2,1-2H3/b14-6+,15-13+
- InChI Key
- OUNJMEAVYBCTEU-WKRSNNMOSA-N
- Formula
- C22H38O4
- SMILES
-
CCC=CCOC(=O)CCCC(=O)OCC=CCCCCC
CCCC - Molecular Weight1
- 366.53
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.9575 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -974.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.906 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 1018.13 | kPa | Joback Calculated Property |
| Inp | [2574.00; 2574.00] |
|
|
| Inp | 2574.00 | NIST | |
| Inp | 2574.00 | NIST | |
| Tboil | 626.27 | K | Relay (1.0) Calculated Property |
| Tc | 801.57 | K | Relay (1.0) Calculated Property |
| Tfus | 255.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.194 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.41; 1132.62] | J/mol×K | [863.66; 1058.41] |
|
| Cp,gas | 1039.41 | J/mol×K | 863.66 | Joback Calculated Property |
| Cp,gas | 1057.40 | J/mol×K | 896.12 | Joback Calculated Property |
| Cp,gas | 1074.36 | J/mol×K | 928.58 | Joback Calculated Property |
| Cp,gas | 1090.31 | J/mol×K | 961.04 | Joback Calculated Property |
| Cp,gas | 1105.31 | J/mol×K | 993.50 | Joback Calculated Property |
| Cp,gas | 1119.40 | J/mol×K | 1025.96 | Joback Calculated Property |
| Cp,gas | 1132.62 | J/mol×K | 1058.41 | Joback Calculated Property |
| η | [0.0000302; 0.0005794] | Pa×s | [471.86; 863.66] |
|
| η | 0.0005794 | Pa×s | 471.86 | Joback Calculated Property |
| η | 0.0002626 | Pa×s | 537.16 | Joback Calculated Property |
| η | 0.0001413 | Pa×s | 602.46 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 667.76 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 733.06 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 798.36 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 863.66 | Joback Calculated Property |
Similar Compounds
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Sources
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