- InChI
- InChI=1S/C19H36O4/c1-6-8-9-12-16(5)22-18(20)13-10-14-19(21)23-17(11-7-2)15(3)4/h15-17H,6-14H2,1-5H3
- InChI Key
- YTUMWLHBPSAMLV-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC(CCC)
C(C)C - Molecular Weight1
- 328.49
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1087.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.037 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Inp | [1984.00; 1984.00] |
|
|
| Inp | 1984.00 | NIST | |
| Inp | 1984.00 | NIST | |
| Tboil | 587.04 | K | Relay (1.0) Calculated Property |
| Tc | 760.16 | K | Relay (1.0) Calculated Property |
| Tfus | 233.94 | 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 | [893.64; 989.13] | J/mol×K | [749.44; 928.11] |
|
| Cp,gas | 893.64 | J/mol×K | 749.44 | Joback Calculated Property |
| Cp,gas | 912.16 | J/mol×K | 779.22 | Joback Calculated Property |
| Cp,gas | 929.61 | J/mol×K | 809.00 | Joback Calculated Property |
| Cp,gas | 946.02 | J/mol×K | 838.77 | Joback Calculated Property |
| Cp,gas | 961.40 | J/mol×K | 868.55 | Joback Calculated Property |
| Cp,gas | 975.77 | J/mol×K | 898.33 | Joback Calculated Property |
| Cp,gas | 989.13 | J/mol×K | 928.11 | Joback Calculated Property |
| η | [0.0000382; 0.0042778] | Pa×s | [343.55; 749.44] |
|
| η | 0.0042778 | Pa×s | 343.55 | Joback Calculated Property |
| η | 0.0010207 | Pa×s | 411.20 | Joback Calculated Property |
| η | 0.0003651 | Pa×s | 478.85 | Joback Calculated Property |
| η | 0.0001684 | Pa×s | 546.50 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 614.14 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 681.79 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 749.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-methylhex-3-yl 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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