- InChI
- InChI=1S/C5H11BrO/c1-4(6)5(2)7-3/h4-5H,1-3H3/t4-,5-/m1/s1
- InChI Key
- MNFFVQPIBJUTHA-RFZPGFLSSA-N
- Formula
- C5H11BrO
- SMILES
- COC(C)C(C)Br
- Molecular Weight1
- 167.04
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -104.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.79 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.805 | Crippen Calculated Property | |
| McVol | 104.680 | ml/mol | McGowan Calculated Property |
| Pc | 3763.78 | kPa | Joback Calculated Property |
| Inp | 823.00 | NIST | |
| Tboil | 401.50 | K | Joback Calculated Property |
| Tc | 595.30 | K | Joback Calculated Property |
| Tfus | 198.14 | K | Joback Calculated Property |
| Vc | 0.384 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.70; 235.30] | J/mol×K | [401.50; 595.30] | 
|
| Cp,gas | 182.70 | J/mol×K | 401.50 | Joback Calculated Property |
| Cp,gas | 192.39 | J/mol×K | 433.80 | Joback Calculated Property |
| Cp,gas | 201.70 | J/mol×K | 466.10 | Joback Calculated Property |
| Cp,gas | 210.64 | J/mol×K | 498.40 | Joback Calculated Property |
| Cp,gas | 219.22 | J/mol×K | 530.70 | Joback Calculated Property |
| Cp,gas | 227.43 | J/mol×K | 563.00 | Joback Calculated Property |
| Cp,gas | 235.30 | J/mol×K | 595.30 | Joback Calculated Property |
| η | [0.0002907; 0.0073529] | Pa×s | [198.14; 401.50] |
|
| η | 0.0073529 | Pa×s | 198.14 | Joback Calculated Property |
| η | 0.0028963 | Pa×s | 232.03 | Joback Calculated Property |
| η | 0.0014467 | Pa×s | 265.93 | Joback Calculated Property |
| η | 0.0008454 | Pa×s | 299.82 | Joback Calculated Property |
| η | 0.0005510 | Pa×s | 333.71 | Joback Calculated Property |
| η | 0.0003886 | Pa×s | 367.61 | Joback Calculated Property |
| η | 0.0002907 | Pa×s | 401.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-bromo-3-methoxy, threo.
Sources
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