- InChI
- InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2
- InChI Key
- SIJLYRDVTMMSIP-UHFFFAOYSA-N
- Formula
- C4H9BrO
- SMILES
- OCCCCBr
- Molecular Weight1
- 153.02
- CAS
- 33036-62-3
- Other Names
-
- 4-Bromo-1-butanol
- 4-bromobutan-1-ol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6594 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -272.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.154 | Crippen Calculated Property | |
| McVol | 90.590 | ml/mol | McGowan Calculated Property |
| Pc | 4815.84 | kPa | Joback Calculated Property |
| Tboil | 476.19 | K | Relay (1.0) Calculated Property |
| Tc | 700.87 | K | Relay (1.0) Calculated Property |
| Tfus | 227.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 330.00 ± 1.00 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.83; 253.43] | 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 | 1.27340e+01 | |||
| Coefficient B | 4.56000e-01 | |||
| Coefficient C | -2.95600e-04 | |||
| Coefficient D | 8.03000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 116.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 180.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 196.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 210.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 223.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 234.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 244.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 253.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0294007; 0.0003533] | Pa×s | [255.46; 440.20] |
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 | -1.40624e+01 | |||
| Coefficient B | 2.69145e+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. | 255.46 | |||
| Temperature range, max. | 440.20 | |||
| η | 0.0294007 | Pa×s | 255.46 | Calculated Property |
| η | 0.0134291 | Pa×s | 275.99 | Calculated Property |
| η | 0.0068368 | Pa×s | 296.51 | Calculated Property |
| η | 0.0037986 | Pa×s | 317.04 | Calculated Property |
| η | 0.0022669 | Pa×s | 337.57 | Calculated Property |
| η | 0.0014353 | Pa×s | 358.09 | Calculated Property |
| η | 0.0009549 | Pa×s | 378.62 | Calculated Property |
| η | 0.0006625 | Pa×s | 399.15 | Calculated Property |
| η | 0.0004764 | Pa×s | 419.67 | Calculated Property |
| η | 0.0003533 | Pa×s | 440.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 4-bromo-.
Sources
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