- InChI
- InChI=1S/C6H13BrO/c1-4-6(8-3)5(2)7/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
- InChI Key
- YHELFDGYBWOBGG-WDSKDSINSA-N
- Formula
- C6H13BrO
- SMILES
- CCC(OC)C(C)Br
- 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° | -95.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.02 | kJ/mol | Joback Calculated Property |
| log10WS | -2.08 | Crippen Calculated Property | |
| logPoct/wat | 2.195 | Crippen Calculated Property | |
| McVol | 118.770 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | 906.00 | NIST | |
| Tboil | 424.38 | K | Joback Calculated Property |
| Tc | 616.51 | K | Joback Calculated Property |
| Tfus | 209.41 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.12; 280.04] | J/mol×K | [424.38; 616.51] | 
|
| Cp,gas | 220.12 | J/mol×K | 424.38 | Joback Calculated Property |
| Cp,gas | 231.19 | J/mol×K | 456.40 | Joback Calculated Property |
| Cp,gas | 241.82 | J/mol×K | 488.42 | Joback Calculated Property |
| Cp,gas | 252.01 | J/mol×K | 520.45 | Joback Calculated Property |
| Cp,gas | 261.77 | J/mol×K | 552.47 | Joback Calculated Property |
| Cp,gas | 271.11 | J/mol×K | 584.49 | Joback Calculated Property |
| Cp,gas | 280.04 | J/mol×K | 616.51 | Joback Calculated Property |
| η | [0.0002721; 0.0072653] | Pa×s | [209.41; 424.38] |
|
| η | 0.0072653 | Pa×s | 209.41 | Joback Calculated Property |
| η | 0.0028172 | Pa×s | 245.24 | Joback Calculated Property |
| η | 0.0013909 | Pa×s | 281.07 | Joback Calculated Property |
| η | 0.0008055 | Pa×s | 316.89 | Joback Calculated Property |
| η | 0.0005212 | Pa×s | 352.72 | Joback Calculated Property |
| η | 0.0003655 | Pa×s | 388.55 | Joback Calculated Property |
| η | 0.0002721 | Pa×s | 424.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 2-bromo-3-methoxy, threo.
Sources
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