- InChI
- InChI=1S/C22H42O4/c1-4-7-13-16-20(6-3)26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-8-5-2/h20H,4-19H2,1-3H3
- InChI Key
- QPTPYNJPSBDVQA-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCC(CC)OC(=O)CCCCCCCCC(=O)O
CCCC - Molecular Weight1
- 370.57
- 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 | 1.0710 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.353 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 958.51 | kPa | Joback Calculated Property |
| Inp | [2371.00; 2371.00] |
|
|
| Inp | 2371.00 | NIST | |
| Inp | 2371.00 | NIST | |
| Tboil | 619.16 | K | Relay (1.0) Calculated Property |
| Tc | 793.26 | K | Relay (1.0) Calculated Property |
| Tfus | 255.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.282 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1092.52; 1189.83] | J/mol×K | [854.90; 1046.82] |
|
| Cp,gas | 1092.52 | J/mol×K | 854.90 | Joback Calculated Property |
| Cp,gas | 1111.68 | J/mol×K | 886.89 | Joback Calculated Property |
| Cp,gas | 1129.63 | J/mol×K | 918.87 | Joback Calculated Property |
| Cp,gas | 1146.40 | J/mol×K | 950.86 | Joback Calculated Property |
| Cp,gas | 1162.01 | J/mol×K | 982.84 | Joback Calculated Property |
| Cp,gas | 1176.47 | J/mol×K | 1014.83 | Joback Calculated Property |
| Cp,gas | 1189.83 | J/mol×K | 1046.82 | Joback Calculated Property |
| η | [0.0000364; 0.0007814] | Pa×s | [467.02; 854.90] |
|
| η | 0.0007814 | Pa×s | 467.02 | Joback Calculated Property |
| η | 0.0003435 | Pa×s | 531.67 | Joback Calculated Property |
| η | 0.0001805 | Pa×s | 596.31 | Joback Calculated Property |
| η | 0.0001075 | Pa×s | 660.96 | Joback Calculated Property |
| η | 0.0000703 | Pa×s | 725.61 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 790.25 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 854.90 | Joback Calculated Property |
Similar Compounds
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Sources
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