- 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° | 42.47 | 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 | 591.54 | K | Relay (1.0) Calculated Property |
| Tfus | 227.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.29; 339.41] | 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 | -1.88480e+01 | |||
| Coefficient B | 7.37860e-01 | |||
| Coefficient C | -5.45800e-04 | |||
| Coefficient D | 1.66200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 212.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 239.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 282.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 299.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 314.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 327.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 339.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0067171; 0.0003270] | Pa×s | [219.60; 417.35] |
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 | -1.13816e+01 | |||
| Coefficient B | 1.40072e+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. | 219.60 | |||
| Temperature range, max. | 417.35 | |||
| η | 0.0067171 | Pa×s | 219.60 | Calculated Property |
| η | 0.0037603 | Pa×s | 241.57 | Calculated Property |
| η | 0.0023188 | Pa×s | 263.55 | Calculated Property |
| η | 0.0015404 | Pa×s | 285.52 | Calculated Property |
| η | 0.0010849 | Pa×s | 307.49 | Calculated Property |
| η | 0.0008007 | Pa×s | 329.46 | Calculated Property |
| η | 0.0006138 | Pa×s | 351.44 | Calculated Property |
| η | 0.0004855 | Pa×s | 373.41 | Calculated Property |
| η | 0.0003941 | Pa×s | 395.38 | Calculated Property |
| η | 0.0003270 | Pa×s | 417.35 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [308.12; 448.34] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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