- InChI
- InChI=1S/C4H9BrO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
- InChI Key
- DMRXISNUOWIOKV-UHFFFAOYSA-N
- Formula
- C4H9BrO
- SMILES
- CCC(O)CBr
- Molecular Weight1
- 153.02
- CAS
- 2482-57-7
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.5975 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -299.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.152 | Crippen Calculated Property | |
| McVol | 90.590 | ml/mol | McGowan Calculated Property |
| Pc | 4869.76 | kPa | Joback Calculated Property |
| Tboil | 434.95 | K | Relay (1.0) Calculated Property |
| Tc | 632.88 | K | Relay (1.0) Calculated Property |
| Tfus | 214.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.331 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 58.40 | kJ/mol | 357.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.51; 253.97] | 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 | 1.10520e+01 | |||
| Coefficient B | 4.61920e-01 | |||
| Coefficient C | -2.98800e-04 | |||
| Coefficient D | 7.98000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 116.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 180.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 197.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 211.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 224.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 235.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 253.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0580626; 0.0003251] | Pa×s | [240.46; 442.69] |
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 | -1.41964e+01 | |||
| Coefficient B | 2.72927e+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. | 240.46 | |||
| Temperature range, max. | 442.69 | |||
| η | 0.0580626 | Pa×s | 240.46 | Calculated Property |
| η | 0.0220107 | Pa×s | 262.93 | Calculated Property |
| η | 0.0097209 | Pa×s | 285.40 | Calculated Property |
| η | 0.0048371 | Pa×s | 307.87 | Calculated Property |
| η | 0.0026467 | Pa×s | 330.34 | Calculated Property |
| η | 0.0015638 | Pa×s | 352.81 | Calculated Property |
| η | 0.0009841 | Pa×s | 375.28 | Calculated Property |
| η | 0.0006525 | Pa×s | 397.75 | Calculated Property |
| η | 0.0004521 | Pa×s | 420.22 | Calculated Property |
| η | 0.0003251 | Pa×s | 442.69 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 100.96] | kPa | [296.90; 418.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.87190e+01 | |||
| Coefficient B | -5.34466e+03 | |||
| Coefficient C | -3.90630e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 296.90 | |||
| Temperature range, max. | 418.00 | |||
| Pvap | 0.13 | kPa | 296.90 | Calculated Property |
| Pvap | 0.37 | kPa | 310.36 | Calculated Property |
| Pvap | 0.95 | kPa | 323.81 | Calculated Property |
| Pvap | 2.22 | kPa | 337.27 | Calculated Property |
| Pvap | 4.81 | kPa | 350.72 | Calculated Property |
| Pvap | 9.77 | kPa | 364.18 | Calculated Property |
| Pvap | 18.79 | kPa | 377.63 | Calculated Property |
| Pvap | 34.35 | kPa | 391.09 | Calculated Property |
| Pvap | 60.07 | kPa | 404.54 | Calculated Property |
| Pvap | 100.96 | kPa | 418.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-2-butanol.
Sources
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