- InChI
- InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3
- InChI Key
- YZUPZGFPHUVJKC-UHFFFAOYSA-N
- Formula
- C3H7BrO
- SMILES
- COCCBr
- Molecular Weight1
- 138.99
- Other Names
-
- 2-Bromoethyl methyl ether
- 1-Bromo-2-methoxyethane
- Ether, 2-bromoethyl methyl
- Methoxyethyl bromide
- 2-Methoxyethyl bromide
- 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).
- 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 | 0.3910 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.13; 10.20] | eV |
|
| IE | 10.13 | eV | NIST |
| IE | 10.20 | eV | NIST |
| log10WS | -0.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.028 | Crippen Calculated Property | |
| McVol | 76.500 | ml/mol | McGowan Calculated Property |
| Pc | 4730.11 | kPa | Joback Calculated Property |
| Inp | [696.00; 716.20] |
|
|
| Inp | 716.20 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 716.20 | NIST | |
| Inp | 696.00 | NIST | |
| Tboil | 383.00 ± 1.00 | K | NIST |
| Tc | 568.37 | K | Relay (1.0) Calculated Property |
| Tfus | 182.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.271 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 313.70 | K | 8.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [98.51; 201.67] | 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 | 3.38520e+01 | |||
| Coefficient B | 2.63820e-01 | |||
| Coefficient C | -9.98000e-05 | |||
| Coefficient D | 3.80000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 98.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 129.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 143.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 156.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 167.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 178.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 187.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 194.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 201.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026168; 0.0002799] | Pa×s | [205.60; 380.52] |
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 | -1.08086e+01 | |||
| Coefficient B | 9.99790e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 205.60 | |||
| Temperature range, max. | 380.52 | |||
| η | 0.0026168 | Pa×s | 205.60 | Calculated Property |
| η | 0.0017194 | Pa×s | 225.04 | Calculated Property |
| η | 0.0012078 | Pa×s | 244.47 | Calculated Property |
| η | 0.0008937 | Pa×s | 263.91 | Calculated Property |
| η | 0.0006892 | Pa×s | 283.34 | Calculated Property |
| η | 0.0005495 | Pa×s | 302.78 | Calculated Property |
| η | 0.0004503 | Pa×s | 322.21 | Calculated Property |
| η | 0.0003774 | Pa×s | 341.65 | Calculated Property |
| η | 0.0003224 | Pa×s | 361.08 | Calculated Property |
| η | 0.0002799 | Pa×s | 380.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1-bromo-2-methoxy-.
Sources
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