- InChI
- InChI=1S/C15H14BrFO4/c1-3-10(2)20-14(18)5-4-6-15(19)21-13-8-7-11(17)9-12(13)16/h1,7-10H,4-6H2,2H3
- InChI Key
- WXNZDZQNUBXBBE-UHFFFAOYSA-N
- Formula
- C15H14BrFO4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)Oc1ccc(F)
cc1Br - Molecular Weight1
- 357.17
- 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 | 0.7108 | Relay (1.0) Calculated Property | |
| ΔfG° | -259.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.229 | Crippen Calculated Property | |
| McVol | 224.000 | ml/mol | McGowan Calculated Property |
| Pc | 2300.32 | kPa | Joback Calculated Property |
| Inp | 2072.00 | NIST | |
| Tboil | 607.77 | K | Relay (1.0) Calculated Property |
| Tc | 819.15 | K | Relay (1.0) Calculated Property |
| Tfus | 334.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.72; 644.08] | J/mol×K | [786.93; 1007.53] | 
|
| Cp,gas | 586.72 | J/mol×K | 786.93 | Joback Calculated Property |
| Cp,gas | 598.48 | J/mol×K | 823.70 | Joback Calculated Property |
| Cp,gas | 609.33 | J/mol×K | 860.46 | Joback Calculated Property |
| Cp,gas | 619.30 | J/mol×K | 897.23 | Joback Calculated Property |
| Cp,gas | 628.40 | J/mol×K | 934.00 | Joback Calculated Property |
| Cp,gas | 636.65 | J/mol×K | 970.76 | Joback Calculated Property |
| Cp,gas | 644.08 | J/mol×K | 1007.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2-bromo-4-fluorophenyl ester.
Sources
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