- InChI
- InChI=1S/C18H22BrFO4/c19-15-11-14(20)9-10-16(15)24-18(22)8-4-7-17(21)23-12-13-5-2-1-3-6-13/h9-11,13H,1-8,12H2
- InChI Key
- YTUFOOLPRFGFFZ-UHFFFAOYSA-N
- Formula
- C18H22BrFO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(F)cc1Br)OCC
1CCCCC1 - Molecular Weight1
- 401.27
- 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 | 0.8335 | Relay (1.0) Calculated Property | |
| ΔfG° | -430.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -922.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.787 | Crippen Calculated Property | |
| McVol | 264.010 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | [2585.00; 2585.00] |
|
|
| Inp | 2585.00 | NIST | |
| Inp | 2585.00 | NIST | |
| Tboil | 672.56 | K | Relay (1.0) Calculated Property |
| Tc | 886.30 | K | Relay (1.0) Calculated Property |
| Tfus | 314.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.942 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.03; 865.63] | J/mol×K | [885.44; 1111.94] |
|
| Cp,gas | 801.03 | J/mol×K | 885.44 | Joback Calculated Property |
| Cp,gas | 815.13 | J/mol×K | 923.19 | Joback Calculated Property |
| Cp,gas | 827.86 | J/mol×K | 960.94 | Joback Calculated Property |
| Cp,gas | 839.24 | J/mol×K | 998.69 | Joback Calculated Property |
| Cp,gas | 849.31 | J/mol×K | 1036.44 | Joback Calculated Property |
| Cp,gas | 858.09 | J/mol×K | 1074.19 | Joback Calculated Property |
| Cp,gas | 865.63 | J/mol×K | 1111.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-bromo-4-fluorophenyl ester.
Sources
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