- InChI
- InChI=1S/C3BrF7/c4-2(7,8)1(5,6)3(9,10)11
- InChI Key
- LANNRYWUUQMNPF-UHFFFAOYSA-N
- Formula
- C3BrF7
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)Br
- Molecular Weight1
- 248.93
- CAS
- 422-85-5
- Other Names
-
- 1-bromo-1,1,2,2,3,3,3-heptafluoropropane
- Heptafluoro-n-propyl bromide
- Heptafluoropropyl bromide
- Propane, 1-bromo-1,1,2,2,3,3,3-heptafluoro-
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.3461 | Relay (1.0) Calculated Property | |
| ΔfG° | -1366.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1505.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 25.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.172 | Crippen Calculated Property | |
| McVol | 83.020 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Tboil | 285.00 | K | NIST |
| Tc | 407.51 | K | Relay (1.0) Calculated Property |
| Tfus | 116.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.339 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.12; 237.07] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.24300e+01 | |||
| Coefficient B | 7.87000e-01 | |||
| Coefficient C | -8.41000e-04 | |||
| Coefficient D | 3.13500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 186.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 202.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 214.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 222.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 227.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 230.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 233.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 237.07 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Heptafluoropropyl bromide.
Sources
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