- InChI
- InChI=1S/C20H30O4/c1-17(2)16-23-19(21)14-10-5-3-4-6-11-15-20(22)24-18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3
- InChI Key
- KDKJNCBFFVINCP-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
ccc1 - Molecular Weight1
- 334.45
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -240.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.43 | Crippen Calculated Property | |
| logPoct/wat | 4.912 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1364.66 | kPa | Joback Calculated Property |
| Inp | [2512.00; 2512.00] |
|
|
| Inp | 2512.00 | NIST | |
| Inp | 2512.00 | NIST | |
| Tboil | 835.82 | K | Joback Calculated Property |
| Tc | 1036.72 | K | Joback Calculated Property |
| Tfus | 470.90 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.85; 960.15] | J/mol×K | [835.82; 1036.72] |
|
| Cp,gas | 878.85 | J/mol×K | 835.82 | Joback Calculated Property |
| Cp,gas | 895.20 | J/mol×K | 869.30 | Joback Calculated Property |
| Cp,gas | 910.39 | J/mol×K | 902.79 | Joback Calculated Property |
| Cp,gas | 924.45 | J/mol×K | 936.27 | Joback Calculated Property |
| Cp,gas | 937.41 | J/mol×K | 969.75 | Joback Calculated Property |
| Cp,gas | 949.30 | J/mol×K | 1003.23 | Joback Calculated Property |
| Cp,gas | 960.15 | J/mol×K | 1036.72 | Joback Calculated Property |
| η | [0.0000497; 0.0008026] | Pa×s | [470.90; 835.82] |
|
| η | 0.0008026 | Pa×s | 470.90 | Joback Calculated Property |
| η | 0.0003871 | Pa×s | 531.72 | Joback Calculated Property |
| η | 0.0002169 | Pa×s | 592.54 | Joback Calculated Property |
| η | 0.0001354 | Pa×s | 653.36 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 714.18 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 775.00 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 835.82 | Joback Calculated Property |
Similar Compounds
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Sources
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