- InChI
- InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
- InChI Key
- XBPOBCXHALHJFP-UHFFFAOYSA-N
- Formula
- C6H11BrO2
- SMILES
- CCOC(=O)CCCBr
- Molecular Weight1
- 195.05
- CAS
- 2969-81-5
- Other Names
-
- BrCH2CH2CH2C(O)OC2H5
- Ethyl «gamma»-bromobutyrate
- Butanoic acid, 4-bromo-, ethyl ester
- 4-Bromobutanoic acid, ethyl ester
- 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 | 0.5582 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.725 | Crippen Calculated Property | |
| McVol | 120.340 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Tboil | 468.58 | K | Relay (1.0) Calculated Property |
| Tc | 645.26 | K | Relay (1.0) Calculated Property |
| Tfus | 226.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.29; 287.75] | J/mol×K | [479.13; 673.53] | 
|
| Cp,gas | 235.29 | J/mol×K | 479.13 | Joback Calculated Property |
| Cp,gas | 245.05 | J/mol×K | 511.53 | Joback Calculated Property |
| Cp,gas | 254.40 | J/mol×K | 543.93 | Joback Calculated Property |
| Cp,gas | 263.33 | J/mol×K | 576.33 | Joback Calculated Property |
| Cp,gas | 271.87 | J/mol×K | 608.73 | Joback Calculated Property |
| Cp,gas | 280.00 | J/mol×K | 641.13 | Joback Calculated Property |
| Cp,gas | 287.75 | J/mol×K | 673.53 | Joback Calculated Property |
| η | [0.0003263; 0.0026449] | Pa×s | [289.34; 479.13] |
|
| η | 0.0026449 | Pa×s | 289.34 | Joback Calculated Property |
| η | 0.0015715 | Pa×s | 320.97 | Joback Calculated Property |
| η | 0.0010251 | Pa×s | 352.60 | Joback Calculated Property |
| η | 0.0007175 | Pa×s | 384.24 | Joback Calculated Property |
| η | 0.0005301 | Pa×s | 415.87 | Joback Calculated Property |
| η | 0.0004089 | Pa×s | 447.50 | Joback Calculated Property |
| η | 0.0003263 | Pa×s | 479.13 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 355.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Ethyl 4-bromobutyrate.
Sources
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