- InChI
- InChI=1S/C19H25BrClFO4/c20-16-14-15(22)10-11-17(16)26-19(24)9-7-8-18(23)25-13-6-4-2-1-3-5-12-21/h10-11,14H,1-9,12-13H2
- InChI Key
- NRDLMJORAYMFRM-UHFFFAOYSA-N
- Formula
- C19H25BrClFO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(F)cc1Br)OCC
CCCCCCCl - Molecular Weight1
- 451.75
- 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° | -458.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.90 | Crippen Calculated Property | |
| logPoct/wat | 5.786 | Crippen Calculated Property | |
| McVol | 301.200 | ml/mol | McGowan Calculated Property |
| Pc | 1411.18 | kPa | Joback Calculated Property |
| Inp | 2924.00 | NIST | |
| Tboil | 926.20 | K | Joback Calculated Property |
| Tc | 1139.40 | K | Joback Calculated Property |
| Tfus | 589.98 | K | Joback Calculated Property |
| Vc | 1.169 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [889.28; 949.56] | J/mol×K | [926.20; 1139.40] | 
|
| Cp,gas | 889.28 | J/mol×K | 926.20 | Joback Calculated Property |
| Cp,gas | 901.96 | J/mol×K | 961.73 | Joback Calculated Property |
| Cp,gas | 913.55 | J/mol×K | 997.27 | Joback Calculated Property |
| Cp,gas | 924.08 | J/mol×K | 1032.80 | Joback Calculated Property |
| Cp,gas | 933.57 | J/mol×K | 1068.33 | Joback Calculated Property |
| Cp,gas | 942.05 | J/mol×K | 1103.86 | Joback Calculated Property |
| Cp,gas | 949.56 | J/mol×K | 1139.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 2-bromo-4-fluorophenyl ester.
Sources
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