- InChI
- InChI=1S/C20H36O4/c1-4-6-7-8-9-10-13-17-23-19(21)15-11-12-16-20(22)24-18(3)14-5-2/h5,18H,2,4,6-17H2,1,3H3
- InChI Key
- XMPZZUIJHYGPKU-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
C=CCC(C)OC(=O)CCCCC(=O)OCCCCCC
CCC - Molecular Weight1
- 340.50
- 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 | 0.9601 | Relay (1.0) Calculated Property | |
| ΔfG° | -264.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.348 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1114.08 | kPa | Joback Calculated Property |
| Inp | 2247.00 | NIST | |
| Tboil | 618.69 | K | Relay (1.0) Calculated Property |
| Tc | 777.23 | K | Relay (1.0) Calculated Property |
| Tfus | 255.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.135 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [942.73; 1034.51] | J/mol×K | [805.82; 990.69] | 
|
| Cp,gas | 942.73 | J/mol×K | 805.82 | Joback Calculated Property |
| Cp,gas | 960.52 | J/mol×K | 836.63 | Joback Calculated Property |
| Cp,gas | 977.28 | J/mol×K | 867.44 | Joback Calculated Property |
| Cp,gas | 993.04 | J/mol×K | 898.25 | Joback Calculated Property |
| Cp,gas | 1007.82 | J/mol×K | 929.06 | Joback Calculated Property |
| Cp,gas | 1021.64 | J/mol×K | 959.88 | Joback Calculated Property |
| Cp,gas | 1034.51 | J/mol×K | 990.69 | Joback Calculated Property |
| η | [0.0000522; 0.0010021] | Pa×s | [442.72; 805.82] |
|
| η | 0.0010021 | Pa×s | 442.72 | Joback Calculated Property |
| η | 0.0004555 | Pa×s | 503.24 | Joback Calculated Property |
| η | 0.0002452 | Pa×s | 563.75 | Joback Calculated Property |
| η | 0.0001489 | Pa×s | 624.27 | Joback Calculated Property |
| η | 0.0000987 | Pa×s | 684.79 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 745.30 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 805.82 | Joback Calculated Property |
Similar Compounds
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Sources
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