- InChI
- InChI=1S/C22H42O4/c1-5-6-7-8-9-10-11-12-13-14-18-25-20(23)16-15-17-21(24)26-19-22(2,3)4/h5-19H2,1-4H3
- InChI Key
- NVBMMVKJTCKFOV-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCC(=O)OCC(
C)(C)C - 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 | 1.0607 | Relay (1.0) Calculated Property | |
| ΔfG° | -330.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1127.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.210 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 965.07 | kPa | Joback Calculated Property |
| Inp | [2486.00; 2486.00] |
|
|
| Inp | 2486.00 | NIST | |
| Inp | 2486.00 | NIST | |
| Tboil | 629.19 | K | Relay (1.0) Calculated Property |
| Tc | 792.51 | K | Relay (1.0) Calculated Property |
| Tfus | 305.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.301 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1092.56; 1189.77] | J/mol×K | [852.11; 1044.11] |
|
| Cp,gas | 1092.56 | J/mol×K | 852.11 | Joback Calculated Property |
| Cp,gas | 1111.54 | J/mol×K | 884.11 | Joback Calculated Property |
| Cp,gas | 1129.36 | J/mol×K | 916.11 | Joback Calculated Property |
| Cp,gas | 1146.06 | J/mol×K | 948.11 | Joback Calculated Property |
| Cp,gas | 1161.66 | J/mol×K | 980.11 | Joback Calculated Property |
| Cp,gas | 1176.22 | J/mol×K | 1012.11 | Joback Calculated Property |
| Cp,gas | 1189.77 | J/mol×K | 1044.11 | Joback Calculated Property |
| η | [0.0000313; 0.0006242] | Pa×s | [484.44; 852.11] |
|
| η | 0.0006242 | Pa×s | 484.44 | Joback Calculated Property |
| η | 0.0002865 | Pa×s | 545.72 | Joback Calculated Property |
| η | 0.0001539 | Pa×s | 607.00 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 668.27 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 729.55 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 790.83 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 852.11 | Joback Calculated Property |
Similar Compounds
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Sources
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