- InChI
- InChI=1S/C7H15BrO/c1-3-4-5-7(8)6-9-2/h7H,3-6H2,1-2H3
- InChI Key
- NKEKBMXDTJGVMN-UHFFFAOYSA-N
- Formula
- C7H15BrO
- SMILES
- CCCCC(Br)COC
- Molecular Weight1
- 195.10
- 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 | 0.4696 | Relay (... Calculated Property | |
| ΔfG° | -85.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.54 | eV | Relay (... Calculated Property |
| log10WS | -2.48 | Relay (... Calculated Property | |
| logPoct/wat | 2.587 | Crippen Calculated Property | |
| McVol | 132.860 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | 1028.00 | NIST | |
| Tboil | 445.61 | K | Relay (... Calculated Property |
| Tc | 636.05 | K | Relay (... Calculated Property |
| Tfus | 206.94 | K | Relay (... Calculated Property |
| Vc | 0.471 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.73; 324.49] | J/mol×K | [447.70; 633.73] | 
|
| Cp,gas | 259.73 | J/mol×K | 447.70 | Joback Calculated Property |
| Cp,gas | 271.68 | J/mol×K | 478.71 | Joback Calculated Property |
| Cp,gas | 283.16 | J/mol×K | 509.71 | Joback Calculated Property |
| Cp,gas | 294.17 | J/mol×K | 540.72 | Joback Calculated Property |
| Cp,gas | 304.72 | J/mol×K | 571.72 | Joback Calculated Property |
| Cp,gas | 314.83 | J/mol×K | 602.73 | Joback Calculated Property |
| Cp,gas | 324.49 | J/mol×K | 633.73 | Joback Calculated Property |
| η | [0.0002637; 0.0045222] | Pa×s | [235.68; 447.70] |
|
| η | 0.0045222 | Pa×s | 235.68 | Joback Calculated Property |
| η | 0.0020680 | Pa×s | 271.02 | Joback Calculated Property |
| η | 0.0011328 | Pa×s | 306.35 | Joback Calculated Property |
| η | 0.0007028 | Pa×s | 341.69 | Joback Calculated Property |
| η | 0.0004768 | Pa×s | 377.03 | Joback Calculated Property |
| η | 0.0003457 | Pa×s | 412.36 | Joback Calculated Property |
| η | 0.0002637 | Pa×s | 447.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2-bromo-1-methoxy.
Sources
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