- InChI
- InChI=1S/C24H32BrFO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-29-23(27)14-13-15-24(28)30-22-17-16-20(26)19-21(22)25/h16-17,19H,2-10,13-15,18H2,1H3
- InChI Key
- LEQLPUHRFBFQTG-UHFFFAOYSA-N
- Formula
- C24H32BrFO4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc
1ccc(F)cc1Br - Molecular Weight1
- 483.41
- 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 | 1.0735 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.741 | Crippen Calculated Property | |
| McVol | 350.810 | ml/mol | McGowan Calculated Property |
| Pc | 1153.00 | kPa | Joback Calculated Property |
| Inp | 3122.00 | NIST | |
| Tboil | 679.79 | K | Relay (1.0) Calculated Property |
| Tc | 894.45 | K | Relay (1.0) Calculated Property |
| Tfus | 319.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.262 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1107.72; 1171.71] | J/mol×K | [1012.17; 1239.63] | 
|
| Cp,gas | 1107.72 | J/mol×K | 1012.17 | Joback Calculated Property |
| Cp,gas | 1121.61 | J/mol×K | 1050.08 | Joback Calculated Property |
| Cp,gas | 1134.15 | J/mol×K | 1087.99 | Joback Calculated Property |
| Cp,gas | 1145.39 | J/mol×K | 1125.90 | Joback Calculated Property |
| Cp,gas | 1155.36 | J/mol×K | 1163.81 | Joback Calculated Property |
| Cp,gas | 1164.12 | J/mol×K | 1201.72 | Joback Calculated Property |
| Cp,gas | 1171.71 | J/mol×K | 1239.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester.
Sources
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