- InChI
- InChI=1S/C21H38O4/c1-4-5-6-13-17-24-20(22)14-11-9-7-8-10-12-15-21(23)25-18-16-19(2)3/h2,4-18H2,1,3H3
- InChI Key
- KEZRJGUJLUTERV-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
C=C(C)CCOC(=O)CCCCCCCCC(=O)OCC
CCCC - Molecular Weight1
- 354.52
- 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 | 1.0321 | Relay (... Calculated Property | |
| ΔfG° | -262.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -997.55 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.50 | kJ/mol | Relay (... Calculated Property |
| IE | 9.17 | eV | Relay (... Calculated Property |
| log10WS | -5.23 | Relay (... Calculated Property | |
| logPoct/wat | 5.740 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1043.95 | kPa | Joback Calculated Property |
| Inp | 2465.00 | NIST | |
| Tboil | 631.94 | K | Relay (... Calculated Property |
| Tc | 789.19 | K | Relay (... Calculated Property |
| Tfus | 273.35 | K | Relay (... Calculated Property |
| Vc | 1.208 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1002.41; 1095.87] | J/mol×K | [829.02; 1016.77] | 
|
| Cp,gas | 1002.41 | J/mol×K | 829.02 | Joback Calculated Property |
| Cp,gas | 1020.59 | J/mol×K | 860.31 | Joback Calculated Property |
| Cp,gas | 1037.70 | J/mol×K | 891.60 | Joback Calculated Property |
| Cp,gas | 1053.75 | J/mol×K | 922.89 | Joback Calculated Property |
| Cp,gas | 1068.79 | J/mol×K | 954.19 | Joback Calculated Property |
| Cp,gas | 1082.82 | J/mol×K | 985.48 | Joback Calculated Property |
| Cp,gas | 1095.87 | J/mol×K | 1016.77 | Joback Calculated Property |
Similar Compounds
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Sources
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