- InChI
- InChI=1S/C6H13BrO/c1-3-4-6(5-7)8-2/h6H,3-5H2,1-2H3
- InChI Key
- JDAILCRIKVLCFU-UHFFFAOYSA-N
- Formula
- C6H13BrO
- SMILES
- CCCC(CBr)OC
- Molecular Weight1
- 181.07
- 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° | -93.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 2.196 | Crippen Calculated Property | |
| McVol | 118.770 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Inp | [936.00; 936.00] |
|
|
| Inp | 936.00 | NIST | |
| Inp | 936.00 | NIST | |
| Tboil | 424.82 | K | Joback Calculated Property |
| Tc | 612.54 | K | Joback Calculated Property |
| Tfus | 224.41 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.06; 278.33] | J/mol×K | [424.82; 612.54] |
|
| Cp,gas | 220.06 | J/mol×K | 424.82 | Joback Calculated Property |
| Cp,gas | 230.79 | J/mol×K | 456.11 | Joback Calculated Property |
| Cp,gas | 241.10 | J/mol×K | 487.39 | Joback Calculated Property |
| Cp,gas | 251.00 | J/mol×K | 518.68 | Joback Calculated Property |
| Cp,gas | 260.50 | J/mol×K | 549.97 | Joback Calculated Property |
| Cp,gas | 269.61 | J/mol×K | 581.26 | Joback Calculated Property |
| Cp,gas | 278.33 | J/mol×K | 612.54 | Joback Calculated Property |
| η | [0.0002837; 0.0045501] | Pa×s | [224.41; 424.82] |
|
| η | 0.0045501 | Pa×s | 224.41 | Joback Calculated Property |
| η | 0.0021234 | Pa×s | 257.81 | Joback Calculated Property |
| η | 0.0011802 | Pa×s | 291.21 | Joback Calculated Property |
| η | 0.0007403 | Pa×s | 324.62 | Joback Calculated Property |
| η | 0.0005066 | Pa×s | 358.02 | Joback Calculated Property |
| η | 0.0003698 | Pa×s | 391.42 | Joback Calculated Property |
| η | 0.0002837 | Pa×s | 424.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 1-bromo-2-methoxy.
Sources
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