- InChI
- InChI=1S/C6H11BrO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
- InChI Key
- UOABIRUEGSGTSA-UHFFFAOYSA-N
- Formula
- C6H11BrO2
- SMILES
- CC(=O)OCCCCBr
- Molecular Weight1
- 195.05
- CAS
- 4753-59-7
- Other Names
-
- 4-Bromo-n-butyl acetate
- 4-Bromobutyl acetate
- 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 | 0.5654 | Relay (1.0) Calculated Property | |
| ΔfG° | -296.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.725 | Crippen Calculated Property | |
| McVol | 120.340 | ml/mol | McGowan Calculated Property |
| Pc | 3380.21 | kPa | Joback Calculated Property |
| Tboil | 479.88 | K | Relay (1.0) Calculated Property |
| Tc | 653.33 | K | Relay (1.0) Calculated Property |
| Tfus | 232.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.26; 285.98] | J/mol×K | [461.26; 652.44] | 
|
| Cp,gas | 232.26 | J/mol×K | 461.26 | Joback Calculated Property |
| Cp,gas | 242.33 | J/mol×K | 493.12 | Joback Calculated Property |
| Cp,gas | 251.94 | J/mol×K | 524.99 | Joback Calculated Property |
| Cp,gas | 261.11 | J/mol×K | 556.85 | Joback Calculated Property |
| Cp,gas | 269.83 | J/mol×K | 588.71 | Joback Calculated Property |
| Cp,gas | 278.12 | J/mol×K | 620.57 | Joback Calculated Property |
| Cp,gas | 285.98 | J/mol×K | 652.44 | Joback Calculated Property |
| η | [0.0003073; 0.0041890] | Pa×s | [259.51; 461.26] |
|
| η | 0.0041890 | Pa×s | 259.51 | Joback Calculated Property |
| η | 0.0021114 | Pa×s | 293.13 | Joback Calculated Property |
| η | 0.0012254 | Pa×s | 326.76 | Joback Calculated Property |
| η | 0.0007872 | Pa×s | 360.38 | Joback Calculated Property |
| η | 0.0005454 | Pa×s | 394.01 | Joback Calculated Property |
| η | 0.0004003 | Pa×s | 427.63 | Joback Calculated Property |
| η | 0.0003073 | Pa×s | 461.26 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 1-Butanol, 4-bromo-, acetate.
Sources
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