- InChI
- InChI=1S/C6H13BrO/c1-2-8-6-4-3-5-7/h2-6H2,1H3
- InChI Key
- AABRBNAXKRILNN-UHFFFAOYSA-N
- Formula
- C6H13BrO
- SMILES
- CCOCCCCBr
- Molecular Weight1
- 181.07
- Other Names
-
- Butane, 1-bromo-4-ethoxy
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4987 | Relay (1.0) Calculated Property | |
| ΔfG° | -91.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.198 | Crippen Calculated Property | |
| McVol | 118.770 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Inp | [994.30; 1001.30] |
|
|
| Inp | 994.30 | NIST | |
| Inp | 1001.30 | NIST | |
| Inp | 994.30 | NIST | |
| Tboil | 444.82 | K | Relay (1.0) Calculated Property |
| Tc | 620.49 | K | Relay (1.0) Calculated Property |
| Tfus | 203.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.16; 356.44] | 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 | 3.11250e+01 | |||
| Coefficient B | 5.48820e-01 | |||
| Coefficient C | -2.63000e-04 | |||
| Coefficient D | 3.95000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 223.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 249.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 273.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 294.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 313.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 329.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 344.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 356.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030729; 0.0002936] | Pa×s | [239.41; 426.31] |
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 | -1.11411e+01 | |||
| Coefficient B | 1.28227e+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. | 239.41 | |||
| Temperature range, max. | 426.31 | |||
| η | 0.0030729 | Pa×s | 239.41 | Calculated Property |
| η | 0.0020039 | Pa×s | 260.18 | Calculated Property |
| η | 0.0013921 | Pa×s | 280.94 | Calculated Property |
| η | 0.0010168 | Pa×s | 301.71 | Calculated Property |
| η | 0.0007734 | Pa×s | 322.48 | Calculated Property |
| η | 0.0006080 | Pa×s | 343.24 | Calculated Property |
| η | 0.0004913 | Pa×s | 364.01 | Calculated Property |
| η | 0.0004062 | Pa×s | 384.78 | Calculated Property |
| η | 0.0003425 | Pa×s | 405.54 | Calculated Property |
| η | 0.0002936 | Pa×s | 426.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-bromoethoxybutane.
Sources
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