- InChI
- InChI=1S/C21H36O4/c1-3-16-10-5-7-12-18(16)24-20(22)14-9-15-21(23)25-19-13-8-6-11-17(19)4-2/h16-19H,3-15H2,1-2H3
- InChI Key
- KEIQQKWAURBMFG-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CCC1CCCCC1OC(=O)CCCC(=O)OC1CCC
CC1CC - Molecular Weight1
- 352.51
- 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° | -308.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -898.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.87 | Crippen Calculated Property | |
| logPoct/wat | 5.181 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Pc | 1277.33 | kPa | Joback Calculated Property |
| Inp | 2419.00 | NIST | |
| Tboil | 862.22 | K | Joback Calculated Property |
| Tc | 1075.00 | K | Joback Calculated Property |
| Tfus | 477.03 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.72; 1128.02] | J/mol×K | [862.22; 1075.00] | 
|
| Cp,gas | 1031.72 | J/mol×K | 862.22 | Joback Calculated Property |
| Cp,gas | 1052.18 | J/mol×K | 897.68 | Joback Calculated Property |
| Cp,gas | 1070.85 | J/mol×K | 933.15 | Joback Calculated Property |
| Cp,gas | 1087.75 | J/mol×K | 968.61 | Joback Calculated Property |
| Cp,gas | 1102.90 | J/mol×K | 1004.07 | Joback Calculated Property |
| Cp,gas | 1116.31 | J/mol×K | 1039.53 | Joback Calculated Property |
| Cp,gas | 1128.02 | J/mol×K | 1075.00 | Joback Calculated Property |
| η | [0.0000827; 0.0011145] | Pa×s | [477.03; 862.22] |
|
| η | 0.0011145 | Pa×s | 477.03 | Joback Calculated Property |
| η | 0.0005586 | Pa×s | 541.23 | Joback Calculated Property |
| η | 0.0003242 | Pa×s | 605.43 | Joback Calculated Property |
| η | 0.0002088 | Pa×s | 669.62 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 733.82 | Joback Calculated Property |
| η | 0.0001071 | Pa×s | 798.02 | Joback Calculated Property |
| η | 0.0000827 | Pa×s | 862.22 | Joback Calculated Property |
Similar Compounds
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Sources
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