- InChI
- InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3
- InChI Key
- CCXQVBSQUQCEEO-UHFFFAOYSA-N
- Formula
- C4H7BrO
- SMILES
- CCC(=O)CBr
- Molecular Weight1
- 151.00
- Other Names
-
- 1-Bromo-2-butanone
- Bromomethyl ethyl ketone
- TL 819
- 1-bromobutanone
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4085 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.360 | Crippen Calculated Property | |
| McVol | 86.290 | ml/mol | McGowan Calculated Property |
| Pc | 4627.70 | kPa | Joback Calculated Property |
| Tboil | 425.39 | K | Relay (1.0) Calculated Property |
| Tc | 632.90 | K | Relay (1.0) Calculated Property |
| Tfus | 300.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.315 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.41; 177.54] | J/mol×K | [411.15; 610.98] | 
|
| Cp,gas | 139.41 | J/mol×K | 411.15 | Joback Calculated Property |
| Cp,gas | 146.63 | J/mol×K | 444.45 | Joback Calculated Property |
| Cp,gas | 153.49 | J/mol×K | 477.76 | Joback Calculated Property |
| Cp,gas | 159.99 | J/mol×K | 511.06 | Joback Calculated Property |
| Cp,gas | 166.16 | J/mol×K | 544.37 | Joback Calculated Property |
| Cp,gas | 172.01 | J/mol×K | 577.67 | Joback Calculated Property |
| Cp,gas | 177.54 | J/mol×K | 610.98 | Joback Calculated Property |
| η | [0.0004407; 0.0033149] | Pa×s | [244.57; 411.15] |
|
| η | 0.0033149 | Pa×s | 244.57 | Joback Calculated Property |
| η | 0.0019951 | Pa×s | 272.33 | Joback Calculated Property |
| η | 0.0013191 | Pa×s | 300.10 | Joback Calculated Property |
| η | 0.0009354 | Pa×s | 327.86 | Joback Calculated Property |
| η | 0.0006999 | Pa×s | 355.62 | Joback Calculated Property |
| η | 0.0005461 | Pa×s | 383.39 | Joback Calculated Property |
| η | 0.0004407 | Pa×s | 411.15 | Joback Calculated Property |
| ΔvapH | [47.70; 49.90] | kJ/mol | [349.50; 375.00] |
|
| ΔvapH | 47.70 | kJ/mol | 349.50 | NIST |
| ΔvapH | 49.90 | kJ/mol | 375.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 20.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Butanone, 1-bromo-.
Sources
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