- InChI
- InChI=1S/C20H36O4/c1-4-5-12-16-23-19(21)13-10-8-6-7-9-11-14-20(22)24-17-15-18(2)3/h2,4-17H2,1,3H3
- InChI Key
- NISFNGJNUDWKDD-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
C=C(C)CCOC(=O)CCCCCCCCC(=O)OCC
CCC - Molecular Weight1
- 340.50
- 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 | 0.9978 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -977.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.350 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1111.85 | kPa | Joback Calculated Property |
| Inp | 2369.00 | NIST | |
| Tboil | 624.00 | K | Relay (1.0) Calculated Property |
| Tc | 780.43 | K | Relay (1.0) Calculated Property |
| Tfus | 270.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.152 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [941.86; 1033.76] | J/mol×K | [806.14; 990.90] | 
|
| Cp,gas | 941.86 | J/mol×K | 806.14 | Joback Calculated Property |
| Cp,gas | 959.64 | J/mol×K | 836.93 | Joback Calculated Property |
| Cp,gas | 976.40 | J/mol×K | 867.73 | Joback Calculated Property |
| Cp,gas | 992.17 | J/mol×K | 898.52 | Joback Calculated Property |
| Cp,gas | 1006.97 | J/mol×K | 929.31 | Joback Calculated Property |
| Cp,gas | 1020.83 | J/mol×K | 960.10 | Joback Calculated Property |
| Cp,gas | 1033.76 | J/mol×K | 990.90 | Joback Calculated Property |
Similar Compounds
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Sources
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