- InChI
- InChI=1S/C21H31FO4/c1-3-4-5-6-7-8-11-17(2)25-20(23)14-10-15-21(24)26-19-13-9-12-18(22)16-19/h9,12-13,16-17H,3-8,10-11,14-15H2,1-2H3
- InChI Key
- UCLPLIRAJMUWSK-UHFFFAOYSA-N
- Formula
- C21H31FO4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c
ccc(F)c1 - Molecular Weight1
- 366.47
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -436.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.38 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 5.584 | Crippen Calculated Property | |
| McVol | 299.640 | ml/mol | McGowan Calculated Property |
| Pc | 1219.99 | kPa | Joback Calculated Property |
| Inp | [2430.00; 2430.00] |
|
|
| Inp | 2430.00 | NIST | |
| Inp | 2430.00 | NIST | |
| Tboil | 862.95 | K | Joback Calculated Property |
| Tc | 1062.30 | K | Joback Calculated Property |
| Tfus | 495.28 | K | Joback Calculated Property |
| Vc | 1.163 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.93; 1024.36] | J/mol×K | [862.95; 1062.30] |
|
| Cp,gas | 944.93 | J/mol×K | 862.95 | Joback Calculated Property |
| Cp,gas | 961.00 | J/mol×K | 896.17 | Joback Calculated Property |
| Cp,gas | 975.91 | J/mol×K | 929.40 | Joback Calculated Property |
| Cp,gas | 989.67 | J/mol×K | 962.62 | Joback Calculated Property |
| Cp,gas | 1002.32 | J/mol×K | 995.85 | Joback Calculated Property |
| Cp,gas | 1013.87 | J/mol×K | 1029.07 | Joback Calculated Property |
| Cp,gas | 1024.36 | J/mol×K | 1062.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 3-fluorophenyl ester.
Sources
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