- InChI
- InChI=1S/C14H21BrO/c1-5-9(3)12-7-11(15)8-13(14(12)16)10(4)6-2/h7-10,16H,5-6H2,1-4H3
- InChI Key
- JUVSQNQHCSZDIF-UHFFFAOYSA-N
- Formula
- C14H21BrO
- SMILES
- CCC(C)c1cc(Br)cc(C(C)CC)c1O
- Molecular Weight1
- 285.22
- CAS
- 64080-14-4
- 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 | 0.6469 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.182 | Crippen Calculated Property | |
| McVol | 207.730 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Tboil | 570.86 | K | Relay (1.0) Calculated Property |
| Tc | 805.36 | K | Relay (1.0) Calculated Property |
| Tfus | 356.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.24; 627.77] | J/mol×K | [702.26; 927.72] | 
|
| Cp,gas | 547.24 | J/mol×K | 702.26 | Joback Calculated Property |
| Cp,gas | 562.53 | J/mol×K | 739.84 | Joback Calculated Property |
| Cp,gas | 576.95 | J/mol×K | 777.41 | Joback Calculated Property |
| Cp,gas | 590.58 | J/mol×K | 814.99 | Joback Calculated Property |
| Cp,gas | 603.54 | J/mol×K | 852.56 | Joback Calculated Property |
| Cp,gas | 615.90 | J/mol×K | 890.14 | Joback Calculated Property |
| Cp,gas | 627.77 | J/mol×K | 927.72 | Joback Calculated Property |
| η | [0.0000131; 0.0005563] | Pa×s | [440.52; 702.26] |
|
| η | 0.0005563 | Pa×s | 440.52 | Joback Calculated Property |
| η | 0.0002247 | Pa×s | 484.14 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 527.77 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 571.39 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 615.01 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 658.64 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 702.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-2,6-di-sec-butyl phenol.
Sources
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