- InChI
- InChI=1S/C21H38O7/c1-4-7-10-13-26-18(22)16-21(25,20(24)28-15-12-9-6-3)17-19(23)27-14-11-8-5-2/h25H,4-17H2,1-3H3
- InChI Key
- DXRFOGXSSDRZFP-UHFFFAOYSA-N
- Formula
- C21H38O7
- SMILES
-
CCCCCOC(=O)CC(O)(CC(=O)OCCCCC)
C(=O)OCCCCC - Molecular Weight1
- 402.52
- CAS
- 70289-34-8
- 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).
- 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° | -709.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1372.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 334.940 | ml/mol | McGowan Calculated Property |
| Pc | 1122.31 | kPa | Joback Calculated Property |
| Tboil | 997.70 | K | Joback Calculated Property |
| Tc | 1228.75 | K | Joback Calculated Property |
| Tfus | 606.15 | K | Joback Calculated Property |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1144.49; 1211.85] | J/mol×K | [997.70; 1228.75] | 
|
| Cp,gas | 1144.49 | J/mol×K | 997.70 | Joback Calculated Property |
| Cp,gas | 1159.51 | J/mol×K | 1036.21 | Joback Calculated Property |
| Cp,gas | 1172.95 | J/mol×K | 1074.72 | Joback Calculated Property |
| Cp,gas | 1184.86 | J/mol×K | 1113.23 | Joback Calculated Property |
| Cp,gas | 1195.29 | J/mol×K | 1151.73 | Joback Calculated Property |
| Cp,gas | 1204.27 | J/mol×K | 1190.24 | Joback Calculated Property |
| Cp,gas | 1211.85 | J/mol×K | 1228.75 | Joback Calculated Property |
| η | [0.0000029; 0.0000938] | Pa×s | [606.15; 997.70] |
|
| η | 0.0000938 | Pa×s | 606.15 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 671.41 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 736.67 | Joback Calculated Property |
| η | 0.0000109 | Pa×s | 801.92 | Joback Calculated Property |
| η | 0.0000066 | Pa×s | 867.18 | Joback Calculated Property |
| η | 0.0000043 | Pa×s | 932.44 | Joback Calculated Property |
| η | 0.0000029 | Pa×s | 997.70 | Joback Calculated Property |
Similar Compounds
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Sources
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