- InChI
- InChI=1S/C6H13BrO/c1-4-6(7)5(2)8-3/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
- InChI Key
- HZOOMUCVVMOMOV-WDSKDSINSA-N
- Formula
- C6H13BrO
- SMILES
- CCC(Br)C(C)OC
- Molecular Weight1
- 181.07
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.3839 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -270.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) 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 | [916.00; 916.00] |
|
|
| Inp | 916.00 | NIST | |
| Inp | 916.00 | NIST | |
| Tboil | 429.57 | K | Relay (1.0) Calculated Property |
| Tc | 615.63 | K | Relay (1.0) Calculated Property |
| Tfus | 228.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.19; 280.12] | J/mol×K | [424.58; 616.80] |
|
| Cp,gas | 220.19 | J/mol×K | 424.58 | Joback Calculated Property |
| Cp,gas | 231.26 | J/mol×K | 456.62 | Joback Calculated Property |
| Cp,gas | 241.89 | J/mol×K | 488.65 | Joback Calculated Property |
| Cp,gas | 252.09 | J/mol×K | 520.69 | Joback Calculated Property |
| Cp,gas | 261.85 | J/mol×K | 552.73 | Joback Calculated Property |
| Cp,gas | 271.19 | J/mol×K | 584.77 | Joback Calculated Property |
| Cp,gas | 280.12 | J/mol×K | 616.80 | Joback Calculated Property |
| η | [0.0002717; 0.0072653] | Pa×s | [209.41; 424.58] |
|
| η | 0.0072653 | Pa×s | 209.41 | Joback Calculated Property |
| η | 0.0028151 | Pa×s | 245.27 | Joback Calculated Property |
| η | 0.0013893 | Pa×s | 281.13 | Joback Calculated Property |
| η | 0.0008044 | Pa×s | 317.00 | Joback Calculated Property |
| η | 0.0005205 | Pa×s | 352.86 | Joback Calculated Property |
| η | 0.0003649 | Pa×s | 388.72 | Joback Calculated Property |
| η | 0.0002717 | Pa×s | 424.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 3-bromo-2-methoxy, threo.
Sources
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