- InChI
- InChI=1S/C18H34O4/c1-6-8-9-11-15(5)21-17(19)12-10-13-18(20)22-16(7-2)14(3)4/h14-16H,6-13H2,1-5H3
- InChI Key
- SLFDJMLCRHHERK-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC(CC)C
(C)C - Molecular Weight1
- 314.47
- 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 | -1076.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.647 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Inp | [1926.00; 1926.00] |
|
|
| Inp | 1926.00 | NIST | |
| Inp | 1926.00 | NIST | |
| Tboil | 580.84 | K | Relay (1.0) Calculated Property |
| Tc | 752.16 | K | Relay (1.0) Calculated Property |
| Tfus | 235.79 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.06; 965.80] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.22980e+01 | |||
| Coefficient B | 1.62200e+00 | |||
| Coefficient C | -7.75800e-04 | |||
| Coefficient D | 8.73000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 419.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 597.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 674.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 801.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 853.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 898.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 935.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 965.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050574; 0.0000802] | Pa×s | [332.28; 632.98] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.40091e+01 | |||
| Coefficient B | 2.89822e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 332.28 | |||
| Temperature range, max. | 632.98 | |||
| η | 0.0050574 | Pa×s | 332.28 | Calculated Property |
| η | 0.0022795 | Pa×s | 365.69 | Calculated Property |
| η | 0.0011741 | Pa×s | 399.10 | Calculated Property |
| η | 0.0006700 | Pa×s | 432.51 | Calculated Property |
| η | 0.0004144 | Pa×s | 465.92 | Calculated Property |
| η | 0.0002733 | Pa×s | 499.34 | Calculated Property |
| η | 0.0001899 | Pa×s | 532.75 | Calculated Property |
| η | 0.0001378 | Pa×s | 566.16 | Calculated Property |
| η | 0.0001036 | Pa×s | 599.57 | Calculated Property |
| η | 0.0000802 | Pa×s | 632.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-methylpent-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
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