- InChI
- InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3
- InChI Key
- ROKZAMCDHKVZIQ-UHFFFAOYSA-N
- Formula
- C6H13Br
- SMILES
- CC(C)(C)CCBr
- Molecular Weight1
- 165.07
- CAS
- 1647-23-0
- Other Names
-
- BrCH2CH2C(CH3)3
- Butane, 1-bromo-3,3-dimethyl-
- 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).
- Pvap : Vapor 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 | 0.3675 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -179.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.817 | Crippen Calculated Property | |
| McVol | 112.900 | ml/mol | McGowan Calculated Property |
| Pc | 3435.91 | kPa | Joback Calculated Property |
| Tboil | 410.19 | K | Relay (1.0) Calculated Property |
| Tc | 582.84 | K | Relay (1.0) Calculated Property |
| Tfus | 240.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.46; 262.20] | J/mol×K | [399.61; 595.92] | 
|
| Cp,gas | 199.46 | J/mol×K | 399.61 | Joback Calculated Property |
| Cp,gas | 211.57 | J/mol×K | 432.33 | Joback Calculated Property |
| Cp,gas | 222.97 | J/mol×K | 465.05 | Joback Calculated Property |
| Cp,gas | 233.70 | J/mol×K | 497.77 | Joback Calculated Property |
| Cp,gas | 243.79 | J/mol×K | 530.48 | Joback Calculated Property |
| Cp,gas | 253.28 | J/mol×K | 563.20 | Joback Calculated Property |
| Cp,gas | 262.20 | J/mol×K | 595.92 | Joback Calculated Property |
| η | [0.0003796; 0.0067171] | Pa×s | [219.60; 399.61] |
|
| η | 0.0067171 | Pa×s | 219.60 | Joback Calculated Property |
| η | 0.0031204 | Pa×s | 249.60 | Joback Calculated Property |
| η | 0.0017088 | Pa×s | 279.60 | Joback Calculated Property |
| η | 0.0010517 | Pa×s | 309.61 | Joback Calculated Property |
| η | 0.0007052 | Pa×s | 339.61 | Joback Calculated Property |
| η | 0.0005045 | Pa×s | 369.61 | Joback Calculated Property |
| η | 0.0003796 | Pa×s | 399.61 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [308.12; 448.34] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43741e+01 | |||
| Coefficient B | -3.56316e+03 | |||
| Coefficient C | -5.51720e+01 | |||
| Temperature range, min. | 308.12 | |||
| Temperature range, max. | 448.34 | |||
| Pvap | 1.33 | kPa | 308.12 | Calculated Property |
| Pvap | 3.02 | kPa | 323.70 | Calculated Property |
| Pvap | 6.25 | kPa | 339.28 | Calculated Property |
| Pvap | 12.00 | kPa | 354.86 | Calculated Property |
| Pvap | 21.59 | kPa | 370.44 | Calculated Property |
| Pvap | 36.76 | kPa | 386.02 | Calculated Property |
| Pvap | 59.66 | kPa | 401.60 | Calculated Property |
| Pvap | 92.88 | kPa | 417.18 | Calculated Property |
| Pvap | 139.42 | kPa | 432.76 | Calculated Property |
| Pvap | 202.64 | kPa | 448.34 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-3,3-dimethylbutane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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