- InChI
- InChI=1S/C18H24BrFO4/c1-3-4-5-7-13(2)23-17(21)8-6-9-18(22)24-16-11-10-14(20)12-15(16)19/h10-13H,3-9H2,1-2H3
- InChI Key
- FUHVWNGEWUUOOY-UHFFFAOYSA-N
- Formula
- C18H24BrFO4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1ccc(
F)cc1Br - Molecular Weight1
- 403.28
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9097 | Relay (... Calculated Property | |
| ΔfG° | -456.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.68 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.36 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -5.48 | Relay (... Calculated Property | |
| logPoct/wat | 5.176 | Crippen Calculated Property | |
| McVol | 274.870 | ml/mol | McGowan Calculated Property |
| Pc | 1573.45 | kPa | Joback Calculated Property |
| Inp | [2357.00; 2357.00] |
|
|
| Inp | 2357.00 | NIST | |
| Inp | 2357.00 | NIST | |
| Tboil | 629.97 | K | Relay (... Calculated Property |
| Tc | 830.89 | K | Relay (... Calculated Property |
| Tfus | 292.79 | K | Relay (... Calculated Property |
| Vc | 1.000 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.10; 874.40] | J/mol×K | [865.45; 1073.80] |
|
| Cp,gas | 808.10 | J/mol×K | 865.45 | Joback Calculated Property |
| Cp,gas | 821.73 | J/mol×K | 900.18 | Joback Calculated Property |
| Cp,gas | 834.30 | J/mol×K | 934.90 | Joback Calculated Property |
| Cp,gas | 845.83 | J/mol×K | 969.63 | Joback Calculated Property |
| Cp,gas | 856.34 | J/mol×K | 1004.35 | Joback Calculated Property |
| Cp,gas | 865.86 | J/mol×K | 1039.08 | Joback Calculated Property |
| Cp,gas | 874.40 | J/mol×K | 1073.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-bromo-4-fluorophenyl ester.
Sources
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