- InChI
- InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3
- InChI Key
- YOCIJWAHRAJQFT-UHFFFAOYSA-N
- Formula
- C4H6Br2O
- SMILES
- CC(C)(Br)C(=O)Br
- Molecular Weight1
- 229.90
- CAS
- 20769-85-1
- Other Names
-
- 2-Bromoisobutyryl bromide
- «alpha»-Bromoisobutyryl bromide
- 2-Bromo-2-methyl-propionyl bromide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3890 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.081 | Crippen Calculated Property | |
| McVol | 103.790 | ml/mol | McGowan Calculated Property |
| Pc | 5235.81 | kPa | Joback Calculated Property |
| Tboil | 436.20 | K | NIST |
| Tc | 632.48 | K | Relay (1.0) Calculated Property |
| Tfus | 283.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.82; 207.48] | J/mol×K | [473.88; 707.16] | 
|
| Cp,gas | 170.82 | J/mol×K | 473.88 | Joback Calculated Property |
| Cp,gas | 178.48 | J/mol×K | 512.76 | Joback Calculated Property |
| Cp,gas | 185.45 | J/mol×K | 551.64 | Joback Calculated Property |
| Cp,gas | 191.77 | J/mol×K | 590.52 | Joback Calculated Property |
| Cp,gas | 197.51 | J/mol×K | 629.40 | Joback Calculated Property |
| Cp,gas | 202.73 | J/mol×K | 668.28 | Joback Calculated Property |
| Cp,gas | 207.48 | J/mol×K | 707.16 | Joback Calculated Property |
| η | [0.0004797; 0.0035573] | Pa×s | [306.79; 473.88] |
|
| η | 0.0035573 | Pa×s | 306.79 | Joback Calculated Property |
| η | 0.0022169 | Pa×s | 334.64 | Joback Calculated Property |
| η | 0.0014857 | Pa×s | 362.49 | Joback Calculated Property |
| η | 0.0010542 | Pa×s | 390.34 | Joback Calculated Property |
| η | 0.0007829 | Pa×s | 418.18 | Joback Calculated Property |
| η | 0.0006035 | Pa×s | 446.03 | Joback Calculated Property |
| η | 0.0004797 | Pa×s | 473.88 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 367.70 | K | 13.30 | NIST |
Similar Compounds
Find more compounds similar to Propanoyl bromide, 2-bromo-2-methyl-.
Sources
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