- 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
- 167.04
- CAS
- 40894-00-6
- 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° | 63.85 | 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 | 678.40 | K | Relay (1.0) Calculated Property |
| Tfus | 298.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.92; 253.50] | J/mol×K | [468.91; 657.78] | 
|
| Cp,gas | 206.92 | J/mol×K | 468.91 | Joback Calculated Property |
| Cp,gas | 215.94 | J/mol×K | 500.39 | Joback Calculated Property |
| Cp,gas | 224.42 | J/mol×K | 531.87 | Joback Calculated Property |
| Cp,gas | 232.39 | J/mol×K | 563.35 | Joback Calculated Property |
| Cp,gas | 239.87 | J/mol×K | 594.83 | Joback Calculated Property |
| Cp,gas | 246.89 | J/mol×K | 626.30 | Joback Calculated Property |
| Cp,gas | 253.50 | J/mol×K | 657.78 | Joback Calculated Property |
| η | [0.0002602; 0.0312926] | Pa×s | [269.15; 468.91] |
|
| η | 0.0312926 | Pa×s | 269.15 | Joback Calculated Property |
| η | 0.0090766 | Pa×s | 302.44 | Joback Calculated Property |
| η | 0.0033652 | Pa×s | 335.74 | Joback Calculated Property |
| η | 0.0014923 | Pa×s | 369.03 | Joback Calculated Property |
| η | 0.0007571 | Pa×s | 402.32 | Joback Calculated Property |
| η | 0.0004261 | Pa×s | 435.62 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 468.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromo-2,2-dimethyl-1-propanol.
Sources
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