- InChI
- InChI=1S/C16H13BrF8O4/c17-9-4-6-10(7-5-9)29-12(27)3-1-2-11(26)28-8-14(20,21)16(24,25)15(22,23)13(18)19/h4-7,13H,1-3,8H2
- InChI Key
- XNERHNYDEGZQGY-UHFFFAOYSA-N
- Formula
- C16H13BrF8O4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(Br)cc1)OCC(
F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 501.16
- 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° | -1819.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2212.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.08 | kJ/mol | Joback Calculated Property |
| log10WS | -6.42 | Crippen Calculated Property | |
| logPoct/wat | 5.239 | Crippen Calculated Property | |
| McVol | 259.080 | ml/mol | McGowan Calculated Property |
| Pc | 1511.67 | kPa | Joback Calculated Property |
| Inp | [2144.00; 2144.00] |
|
|
| Inp | 2144.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Tboil | 799.91 | K | Joback Calculated Property |
| Tc | 990.80 | K | Joback Calculated Property |
| Tfus | 510.12 | K | Joback Calculated Property |
| Vc | 1.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [754.19; 806.86] | J/mol×K | [799.91; 990.80] |
|
| Cp,gas | 754.19 | J/mol×K | 799.91 | Joback Calculated Property |
| Cp,gas | 764.81 | J/mol×K | 831.72 | Joback Calculated Property |
| Cp,gas | 774.61 | J/mol×K | 863.54 | Joback Calculated Property |
| Cp,gas | 783.64 | J/mol×K | 895.35 | Joback Calculated Property |
| Cp,gas | 791.99 | J/mol×K | 927.17 | Joback Calculated Property |
| Cp,gas | 799.70 | J/mol×K | 958.98 | Joback Calculated Property |
| Cp,gas | 806.86 | J/mol×K | 990.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-bromophenyl ester.
Sources
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