- InChI
- InChI=1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
- InChI Key
- BNWCETAHAJSBFG-UHFFFAOYSA-N
- Formula
- C6H11BrO2
- SMILES
- CC(C)(C)OC(=O)CBr
- Molecular Weight1
- 195.05
- CAS
- 5292-43-3
- Other Names
-
- BrCH2C(O)OC(CH3)3
- tert-Butyl bromoacetate
- t-Butyl bromoacetate
- Acetic acid, bromo-, tert-butyl ester
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -217.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.25 | kJ/mol | Joback Calculated Property |
| log10WS | -1.74 | Crippen Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 120.340 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Inp | [949.00; 949.00] |
|
|
| Inp | 949.00 | NIST | |
| Inp | 949.00 | NIST | |
| I | 1359.00 | NIST | |
| Tboil | 475.90 | K | Joback Calculated Property |
| Tc | 683.03 | K | Joback Calculated Property |
| Tfus | 291.76 | K | Joback Calculated Property |
| Vc | 0.447 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.55; 294.19] | J/mol×K | [475.90; 683.03] |
|
| Cp,gas | 238.55 | J/mol×K | 475.90 | Joback Calculated Property |
| Cp,gas | 249.29 | J/mol×K | 510.42 | Joback Calculated Property |
| Cp,gas | 259.40 | J/mol×K | 544.94 | Joback Calculated Property |
| Cp,gas | 268.93 | J/mol×K | 579.47 | Joback Calculated Property |
| Cp,gas | 277.88 | J/mol×K | 613.99 | Joback Calculated Property |
| Cp,gas | 286.30 | J/mol×K | 648.51 | Joback Calculated Property |
| Cp,gas | 294.19 | J/mol×K | 683.03 | Joback Calculated Property |
| η | [0.0003241; 0.0033846] | Pa×s | [291.76; 475.90] |
|
| η | 0.0033846 | Pa×s | 291.76 | Joback Calculated Property |
| η | 0.0019006 | Pa×s | 322.45 | Joback Calculated Property |
| η | 0.0011798 | Pa×s | 353.14 | Joback Calculated Property |
| η | 0.0007905 | Pa×s | 383.83 | Joback Calculated Property |
| η | 0.0005619 | Pa×s | 414.52 | Joback Calculated Property |
| η | 0.0004187 | Pa×s | 445.21 | Joback Calculated Property |
| η | 0.0003241 | Pa×s | 475.90 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 323.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, bromo-, 1,1-dimethylethyl ester.
Sources
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