- InChI
- InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2
- InChI Key
- LFJJGHGXHXXDFT-UHFFFAOYSA-N
- Formula
- C4H5BrO2
- SMILES
- O=C1OCCC1Br
- Molecular Weight1
- 164.99
- CAS
- 5061-21-2
- Other Names
-
- «alpha»-Bromo-«gamma»-butyrolactone
- 2-Bromo-4-butyrolactone
- 2-Bromo-«gamma»-butyrolactone
- «alpha»-Bromobutyric acid, «gamma»-lactone
- «alpha»-Bromobutyrolactone
- 2-Bromo-4-butanolide
- 2-Bromobutyrolactone
- 3-Bromodihydro-2-furanone
- 3-Bromodihydro-2(3H)-furanone
- Butyric acid, 2-bromo-4-hydroxy-, gamma-lactone
- 3-Bromo-2-oxotetrahydrofuran
- NSC 56959
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -175.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.95 | kJ/mol | Joback Calculated Property |
| log10WS | -0.80 | Crippen Calculated Property | |
| logPoct/wat | 0.697 | Crippen Calculated Property | |
| McVol | 81.300 | ml/mol | McGowan Calculated Property |
| Pc | 5678.82 | kPa | Joback Calculated Property |
| Tboil | 467.13 | K | Joback Calculated Property |
| Tc | 710.18 | K | Joback Calculated Property |
| Tfus | 300.33 | K | Joback Calculated Property |
| Vc | 0.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.75; 200.16] | J/mol×K | [467.13; 710.18] | 
|
| Cp,gas | 148.75 | J/mol×K | 467.13 | Joback Calculated Property |
| Cp,gas | 158.59 | J/mol×K | 507.64 | Joback Calculated Property |
| Cp,gas | 167.92 | J/mol×K | 548.15 | Joback Calculated Property |
| Cp,gas | 176.75 | J/mol×K | 588.65 | Joback Calculated Property |
| Cp,gas | 185.07 | J/mol×K | 629.16 | Joback Calculated Property |
| Cp,gas | 192.87 | J/mol×K | 669.67 | Joback Calculated Property |
| Cp,gas | 200.16 | J/mol×K | 710.18 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [369.50; 411.20] | K | [0.70; 0.80] |
|
| Tboilr | 369.50 ± 0.50 | K | 0.70 | NIST |
| Tboilr | 411.20 | K | 0.80 | NIST |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 3-bromodihydro-.
Sources
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