- InChI
- InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
- InChI Key
- KQOQXYPZBYTICM-UHFFFAOYSA-N
- Formula
- C5H11BrO
- SMILES
- CC(C)(CO)CBr
- Molecular Weight1
- 167.05
- 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 | 0.6071 | Relay (1.0) Calculated Property | |
| ΔfG° | -128.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.400 | Crippen Calculated Property | |
| McVol | 104.680 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 458.70 | K | NIST |
| Tc | 688.14 | K | Relay (1.0) Calculated Property |
| Tfus | 291.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.58; 306.49] | 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 | -1.26480e+01 | |||
| Coefficient B | 6.76840e-01 | |||
| Coefficient C | -5.21800e-04 | |||
| Coefficient D | 1.64100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 196.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 220.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 240.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 257.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 272.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 284.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 296.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 306.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0312926; 0.0002921] | Pa×s | [269.15; 460.64] |
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 | -1.47077e+01 | |||
| Coefficient B | 3.02615e+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. | 269.15 | |||
| Temperature range, max. | 460.64 | |||
| η | 0.0312926 | Pa×s | 269.15 | Calculated Property |
| η | 0.0137313 | Pa×s | 290.43 | Calculated Property |
| η | 0.0067425 | Pa×s | 311.70 | Calculated Property |
| η | 0.0036258 | Pa×s | 332.98 | Calculated Property |
| η | 0.0021006 | Pa×s | 354.26 | Calculated Property |
| η | 0.0012947 | Pa×s | 375.54 | Calculated Property |
| η | 0.0008404 | Pa×s | 396.81 | Calculated Property |
| η | 0.0005701 | Pa×s | 418.09 | Calculated Property |
| η | 0.0004015 | Pa×s | 439.37 | Calculated Property |
| η | 0.0002921 | Pa×s | 460.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-BROMO-2,2-DIMETHYL-1-PROPANOL.
Sources
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