- InChI
- InChI=1S/C20H38O4/c1-5-8-10-13-17(4)23-19(21)15-12-16-20(22)24-18(7-3)14-11-9-6-2/h17-18H,5-16H2,1-4H3
- InChI Key
- HZFDDAPMHZSTFC-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC(CC)C
CCCC - Molecular Weight1
- 342.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1111.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.571 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Inp | [2092.00; 2092.00] |
|
|
| Inp | 2092.00 | NIST | |
| Inp | 2092.00 | NIST | |
| Tboil | 598.15 | K | Relay (1.0) Calculated Property |
| Tc | 776.14 | K | Relay (1.0) Calculated Property |
| Tfus | 239.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [952.99; 1048.95] | J/mol×K | [772.76; 951.83] |
|
| Cp,gas | 952.99 | J/mol×K | 772.76 | Joback Calculated Property |
| Cp,gas | 971.65 | J/mol×K | 802.61 | Joback Calculated Property |
| Cp,gas | 989.23 | J/mol×K | 832.45 | Joback Calculated Property |
| Cp,gas | 1005.72 | J/mol×K | 862.30 | Joback Calculated Property |
| Cp,gas | 1021.16 | J/mol×K | 892.14 | Joback Calculated Property |
| Cp,gas | 1035.57 | J/mol×K | 921.99 | Joback Calculated Property |
| Cp,gas | 1048.95 | J/mol×K | 951.83 | Joback Calculated Property |
| η | [0.0000356; 0.0026218] | Pa×s | [369.82; 772.76] |
|
| η | 0.0026218 | Pa×s | 369.82 | Joback Calculated Property |
| η | 0.0007386 | Pa×s | 436.98 | Joback Calculated Property |
| η | 0.0002916 | Pa×s | 504.13 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 571.29 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 638.45 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 705.60 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 772.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 3-octyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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