- InChI
- InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
- InChI Key
- WEGOLYBUWCMMMY-UHFFFAOYSA-N
- Formula
- C3H7BrO
- SMILES
- CC(O)CBr
- Molecular Weight1
- 138.99
- Other Names
-
- 1-Bromo-2-propanol
- 2-Hydroxy-2-methylethyl bromide
- 2-Hydroxypropyl bromide
- Propylene bromohydrin
- 1-Bromo-2-hydroxypropane
- 1-bromopropan-2-ol
- 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).
- 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 | 0.5794 | Relay (1.0) Calculated Property | |
| ΔfG° | -150.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.38 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.762 | Crippen Calculated Property | |
| McVol | 76.500 | ml/mol | McGowan Calculated Property |
| Pc | 5594.19 | kPa | Joback Calculated Property |
| Tboil | 419.70 | K | NIST |
| Tc | 623.45 | K | Relay (1.0) Calculated Property |
| Tfus | 200.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.282 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.30; 202.38] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.19610e+01 | |||
| Coefficient B | 3.66920e-01 | |||
| Coefficient C | -2.44400e-04 | |||
| Coefficient D | 6.79000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 95.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 130.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 145.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 158.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 169.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 179.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 187.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 195.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 202.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0745644; 0.0003584] | Pa×s | [229.19; 427.79] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.40936e+01 | |||
| Coefficient B | 2.63511e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 229.19 | |||
| Temperature range, max. | 427.79 | |||
| η | 0.0745644 | Pa×s | 229.19 | Calculated Property |
| η | 0.0271638 | Pa×s | 251.26 | Calculated Property |
| η | 0.0116483 | Pa×s | 273.32 | Calculated Property |
| η | 0.0056686 | Pa×s | 295.39 | Calculated Property |
| η | 0.0030491 | Pa×s | 317.46 | Calculated Property |
| η | 0.0017778 | Pa×s | 339.52 | Calculated Property |
| η | 0.0011071 | Pa×s | 361.59 | Calculated Property |
| η | 0.0007280 | Pa×s | 383.66 | Calculated Property |
| η | 0.0005011 | Pa×s | 405.72 | Calculated Property |
| η | 0.0003584 | Pa×s | 427.79 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-PROPANOL, 1-BROMO-.
Sources
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