- InChI
- InChI=1S/C13H20BrF3O4/c1-4-5-6-7-20-10(18)12(2,3)11(19)21-9(8-14)13(15,16)17/h9H,4-8H2,1-3H3
- InChI Key
- NGELFJQIEDGPAB-UHFFFAOYSA-N
- Formula
- C13H20BrF3O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)OC(CBr)
C(F)(F)F - Molecular Weight1
- 377.19
- 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 | 0.7347 | Relay (1.0) Calculated Property | |
| ΔfG° | -976.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1578.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.615 | Crippen Calculated Property | |
| McVol | 231.720 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Inp | 1532.00 | NIST | |
| Tboil | 534.18 | K | Relay (1.0) Calculated Property |
| Tc | 695.69 | K | Relay (1.0) Calculated Property |
| Tfus | 281.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.836 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [642.06; 710.38] | J/mol×K | [706.49; 892.82] | 
|
| Cp,gas | 642.06 | J/mol×K | 706.49 | Joback Calculated Property |
| Cp,gas | 655.38 | J/mol×K | 737.54 | Joback Calculated Property |
| Cp,gas | 667.87 | J/mol×K | 768.60 | Joback Calculated Property |
| Cp,gas | 679.58 | J/mol×K | 799.65 | Joback Calculated Property |
| Cp,gas | 690.54 | J/mol×K | 830.71 | Joback Calculated Property |
| Cp,gas | 700.80 | J/mol×K | 861.76 | Joback Calculated Property |
| Cp,gas | 710.38 | J/mol×K | 892.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester.
Sources
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