- InChI
- InChI=1S/C21H31FO4/c1-16(2)8-6-9-17(3)14-15-25-20(23)12-7-13-21(24)26-19-11-5-4-10-18(19)22/h4-5,10-11,16-17H,6-9,12-15H2,1-3H3
- InChI Key
- FTYWCPPATJBINN-UHFFFAOYSA-N
- Formula
- C21H31FO4
- SMILES
-
CC(C)CCCC(C)CCOC(=O)CCCC(=O)Oc
1ccccc1F - Molecular Weight1
- 366.47
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1071.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.94 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.297 | Crippen Calculated Property | |
| McVol | 299.640 | ml/mol | McGowan Calculated Property |
| Inp | [2458.00; 2458.00] |
|
|
| Inp | 2458.00 | NIST | |
| Inp | 2458.00 | NIST | |
| Tboil | 633.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [436.51; 1005.54] | 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 | 1.77380e+01 | |||
| Coefficient B | 1.77446e+00 | |||
| Coefficient C | -9.16360e-04 | |||
| Coefficient D | 1.29700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 436.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 536.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 626.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 706.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 777.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 839.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 892.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 937.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 975.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1005.54 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-fluorophenyl 3,7-dimethyloctyl 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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