- InChI
- InChI=1S/C21H40O4/c1-5-7-9-11-14-18(3)24-20(22)16-13-17-21(23)25-19(4)15-12-10-8-6-2/h18-19H,5-17H2,1-4H3
- InChI Key
- NLRRFBDZLUBGSA-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCC(C)OC(=O)CCCC(=O)OC(C)C
CCCCC - Molecular Weight1
- 356.55
- 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 | 0.9990 | Relay (1.0) Calculated Property | |
| ΔfG° | -499.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1134.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.961 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 971.70 | kPa | Joback Calculated Property |
| Inp | 2289.00 | NIST | |
| Tboil | 601.91 | K | Relay (1.0) Calculated Property |
| Tc | 778.60 | K | Relay (1.0) Calculated Property |
| Tfus | 264.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.238 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.63; 1110.64] | J/mol×K | [795.64; 977.25] | 
|
| Cp,gas | 1013.63 | J/mol×K | 795.64 | Joback Calculated Property |
| Cp,gas | 1032.61 | J/mol×K | 825.91 | Joback Calculated Property |
| Cp,gas | 1050.45 | J/mol×K | 856.18 | Joback Calculated Property |
| Cp,gas | 1067.14 | J/mol×K | 886.44 | Joback Calculated Property |
| Cp,gas | 1082.73 | J/mol×K | 916.71 | Joback Calculated Property |
| Cp,gas | 1097.22 | J/mol×K | 946.98 | Joback Calculated Property |
| Cp,gas | 1110.64 | J/mol×K | 977.25 | Joback Calculated Property |
| η | [0.0000305; 0.0022441] | Pa×s | [381.09; 795.64] |
|
| η | 0.0022441 | Pa×s | 381.09 | Joback Calculated Property |
| η | 0.0006329 | Pa×s | 450.18 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 519.27 | Joback Calculated Property |
| η | 0.0001228 | Pa×s | 588.37 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 657.46 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 726.55 | Joback Calculated Property |
| η | 0.0000305 | Pa×s | 795.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-octyl) ester.
Sources
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