- InChI
- InChI=1S/C5H7BrO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3
- InChI Key
- FLOKBGAYTGLYGR-UHFFFAOYSA-N
- Formula
- C5H7BrO2
- SMILES
- CC1CC(Br)C(=O)O1
- Molecular Weight1
- 179.01
- CAS
- 25966-39-6
- Other Names
-
- Valeric acid, 2-bromo-4-hydroxy-, «gamma»-lactone
- 2(3H)-Furanone, 3-bromodihydro-5-methyl-
- 3-Bromo-5-methyldihydro-2(3H)-furanone
- alpha-Bromo-gamma-valerolactone
- NSC 91486
- alpha-bromo-«gamma»-valerolactone
- Alpha-bromo-gamma-valerolactone,c&t
- 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° | -174.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.86 | kJ/mol | Joback Calculated Property |
| log10WS | -1.33 | Crippen Calculated Property | |
| logPoct/wat | 1.085 | Crippen Calculated Property | |
| McVol | 95.390 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Tboil | 485.34 | K | Joback Calculated Property |
| Tc | 723.85 | K | Joback Calculated Property |
| Tfus | 307.36 | K | Joback Calculated Property |
| Vc | 0.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.89; 251.47] | J/mol×K | [485.34; 723.85] | 
|
| Cp,gas | 189.89 | J/mol×K | 485.34 | Joback Calculated Property |
| Cp,gas | 201.60 | J/mol×K | 525.09 | Joback Calculated Property |
| Cp,gas | 212.74 | J/mol×K | 564.84 | Joback Calculated Property |
| Cp,gas | 223.30 | J/mol×K | 604.59 | Joback Calculated Property |
| Cp,gas | 233.29 | J/mol×K | 644.35 | Joback Calculated Property |
| Cp,gas | 242.68 | J/mol×K | 684.10 | Joback Calculated Property |
| Cp,gas | 251.47 | J/mol×K | 723.85 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 408.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to «alpha»-Bromo-«gamma»-valerolactone.
Sources
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