- InChI
- InChI=1S/C6H9BrO2/c1-2-3-4-9-6(8)5-7/h2H,1,3-5H2
- InChI Key
- JTGHDLRTHVAJPU-UHFFFAOYSA-N
- Formula
- C6H9BrO2
- SMILES
- C=CCCOC(=O)CBr
- Molecular Weight1
- 193.04
- 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.
- I : 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 | 0.5059 | Relay (... Calculated Property | |
| ΔfG° | -132.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.62 | kJ/mol | Relay (... Calculated Property |
| IE | 9.84 | eV | Relay (... Calculated Property |
| log10WS | -1.76 | Relay (... Calculated Property | |
| logPoct/wat | 1.501 | Crippen Calculated Property | |
| McVol | 116.040 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Inp | [1040.00; 1040.00] |
|
|
| Inp | 1040.00 | NIST | |
| Inp | 1040.00 | NIST | |
| I | [1596.00; 1596.00] |
|
|
| I | 1596.00 | NIST | |
| I | 1596.00 | NIST | |
| Tboil | 461.58 | K | Relay (... Calculated Property |
| Tc | 658.02 | K | Relay (... Calculated Property |
| Tfus | 223.40 | K | Relay (... Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.44; 266.38] | J/mol×K | [475.81; 674.35] |
|
| Cp,gas | 218.44 | J/mol×K | 475.81 | Joback Calculated Property |
| Cp,gas | 227.46 | J/mol×K | 508.90 | Joback Calculated Property |
| Cp,gas | 236.05 | J/mol×K | 541.99 | Joback Calculated Property |
| Cp,gas | 244.23 | J/mol×K | 575.08 | Joback Calculated Property |
| Cp,gas | 252.00 | J/mol×K | 608.17 | Joback Calculated Property |
| Cp,gas | 259.38 | J/mol×K | 641.26 | Joback Calculated Property |
| Cp,gas | 266.38 | J/mol×K | 674.35 | Joback Calculated Property |
| η | [0.0003302; 0.0024719] | Pa×s | [287.58; 475.81] |
|
| η | 0.0024719 | Pa×s | 287.58 | Joback Calculated Property |
| η | 0.0014985 | Pa×s | 318.95 | Joback Calculated Property |
| η | 0.0009937 | Pa×s | 350.32 | Joback Calculated Property |
| η | 0.0007049 | Pa×s | 381.70 | Joback Calculated Property |
| η | 0.0005269 | Pa×s | 413.07 | Joback Calculated Property |
| η | 0.0004103 | Pa×s | 444.44 | Joback Calculated Property |
| η | 0.0003302 | Pa×s | 475.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-1-ol, bromoacetate.
Sources
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