- InChI
- InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
- InChI Key
- PQJJJMRNHATNKG-UHFFFAOYSA-N
- Formula
- C4H7BrO2
- SMILES
- CCOC(=O)CBr
- Molecular Weight1
- 167.00
- CAS
- 105-36-2
- Other Names
-
- Antol
- Bromoacetic acid ethyl ester
- Ethoxycarbonylmethyl bromide
- Ethyl «alpha»-bromoacetate
- Ethyl bromacetate
- Ethyl bromoacetate
- Ethyl monobromoacetate
- UN 1603
- Acetic acid, 2-bromo-, ethyl ester
- Ethyl 2-bromoacetate
- NSC 8832
- 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 | 0.4700 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.944 | Crippen Calculated Property | |
| McVol | 92.160 | ml/mol | McGowan Calculated Property |
| Pc | 4283.05 | kPa | Joback Calculated Property |
| Inp | [873.40; 880.00] |
|
|
| Inp | 880.00 | NIST | |
| Inp | 873.40 | NIST | |
| Inp | 880.00 | NIST | |
| Tboil | [430.00; 432.20] | K |
|
| Tboil | 432.20 | K | NIST |
| Tboil | 430.00 | K | NIST |
| Tboil | 432.00 ± 0.60 | K | NIST |
| Tboil | 431.40 ± 1.00 | K | NIST |
| Tc | 624.63 | K | Relay (1.0) Calculated Property |
| Tfus | 242.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.341 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.66; 242.87] | 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 | 3.28520e+01 | |||
| Coefficient B | 3.67220e-01 | |||
| Coefficient C | -1.70600e-04 | |||
| Coefficient D | 1.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 120.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 142.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 178.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 193.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 207.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 218.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 228.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 236.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 242.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042569; 0.0003290] | Pa×s | [236.97; 427.41] |
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 | -1.12050e+01 | |||
| Coefficient B | 1.36158e+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. | 236.97 | |||
| Temperature range, max. | 427.41 | |||
| η | 0.0042569 | Pa×s | 236.97 | Calculated Property |
| η | 0.0026579 | Pa×s | 258.13 | Calculated Property |
| η | 0.0017823 | Pa×s | 279.29 | Calculated Property |
| η | 0.0012644 | Pa×s | 300.45 | Calculated Property |
| η | 0.0009384 | Pa×s | 321.61 | Calculated Property |
| η | 0.0007226 | Pa×s | 342.77 | Calculated Property |
| η | 0.0005736 | Pa×s | 363.93 | Calculated Property |
| η | 0.0004670 | Pa×s | 385.09 | Calculated Property |
| η | 0.0003884 | Pa×s | 406.25 | Calculated Property |
| η | 0.0003290 | Pa×s | 427.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, bromo-, ethyl ester.
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