- InChI
- InChI=1S/C21H40O5/c1-3-5-7-8-9-10-11-12-13-14-15-17-26-21(23)19-24-18-20(22)25-16-6-4-2/h3-19H2,1-2H3
- InChI Key
- VTIMNPSEKHDVHP-UHFFFAOYSA-N
- Formula
- C21H40O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)COCC(=O)OCC
CC - Molecular Weight1
- 372.54
- 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 | 1.1285 | Relay (1.0) Calculated Property | |
| ΔfG° | -446.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1212.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.201 | Crippen Calculated Property | |
| McVol | 327.500 | ml/mol | McGowan Calculated Property |
| Pc | 1002.08 | kPa | Joback Calculated Property |
| Inp | [3267.00; 3267.00] |
|
|
| Inp | 3267.00 | NIST | |
| Inp | 3267.00 | NIST | |
| Tboil | 635.11 | K | Relay (1.0) Calculated Property |
| Tc | 805.11 | K | Relay (1.0) Calculated Property |
| Tfus | 293.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.270 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.15; 1154.88] | J/mol×K | [854.88; 1046.67] |
|
| Cp,gas | 1062.15 | J/mol×K | 854.88 | Joback Calculated Property |
| Cp,gas | 1080.63 | J/mol×K | 886.84 | Joback Calculated Property |
| Cp,gas | 1097.88 | J/mol×K | 918.81 | Joback Calculated Property |
| Cp,gas | 1113.92 | J/mol×K | 950.77 | Joback Calculated Property |
| Cp,gas | 1128.76 | J/mol×K | 982.74 | Joback Calculated Property |
| Cp,gas | 1142.41 | J/mol×K | 1014.70 | Joback Calculated Property |
| Cp,gas | 1154.88 | J/mol×K | 1046.67 | Joback Calculated Property |
| η | [0.0000343; 0.0005115] | Pa×s | [492.98; 854.88] |
|
| η | 0.0005115 | Pa×s | 492.98 | Joback Calculated Property |
| η | 0.0002551 | Pa×s | 553.30 | Joback Calculated Property |
| η | 0.0001459 | Pa×s | 613.61 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 673.93 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 734.25 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 794.56 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 854.88 | Joback Calculated Property |
Similar Compounds
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Sources
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