- InChI
- InChI=1S/C5H11BrO/c1-3-5(6)4-7-2/h5H,3-4H2,1-2H3
- InChI Key
- MPXVTXBMYIRQGB-UHFFFAOYSA-N
- Formula
- C5H11BrO
- SMILES
- CCC(Br)COC
- Molecular Weight1
- 167.04
- 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).
- 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 | 0.3916 | Relay (1.0) Calculated Property | |
| ΔfG° | -101.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.806 | Crippen Calculated Property | |
| McVol | 104.680 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Inp | 844.00 | NIST | |
| Tboil | 411.18 | K | Relay (1.0) Calculated Property |
| Tc | 598.52 | K | Relay (1.0) Calculated Property |
| Tfus | 192.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.68; 233.72] | J/mol×K | [401.94; 591.17] | 
|
| Cp,gas | 182.68 | J/mol×K | 401.94 | Joback Calculated Property |
| Cp,gas | 192.05 | J/mol×K | 433.48 | Joback Calculated Property |
| Cp,gas | 201.06 | J/mol×K | 465.02 | Joback Calculated Property |
| Cp,gas | 209.73 | J/mol×K | 496.55 | Joback Calculated Property |
| Cp,gas | 218.06 | J/mol×K | 528.09 | Joback Calculated Property |
| Cp,gas | 226.05 | J/mol×K | 559.63 | Joback Calculated Property |
| Cp,gas | 233.72 | J/mol×K | 591.17 | Joback Calculated Property |
| η | [0.0003015; 0.0044942] | Pa×s | [213.14; 401.94] |
|
| η | 0.0044942 | Pa×s | 213.14 | Joback Calculated Property |
| η | 0.0021444 | Pa×s | 244.61 | Joback Calculated Property |
| η | 0.0012112 | Pa×s | 276.07 | Joback Calculated Property |
| η | 0.0007689 | Pa×s | 307.54 | Joback Calculated Property |
| η | 0.0005311 | Pa×s | 339.01 | Joback Calculated Property |
| η | 0.0003907 | Pa×s | 370.47 | Joback Calculated Property |
| η | 0.0003015 | Pa×s | 401.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-bromo-1-methoxy.
Sources
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