- InChI
- InChI=1S/C10H15BrO2/c1-3-6-9(4-2)13-10(12)7-5-8-11/h9H,4-5,7-8H2,1-2H3
- InChI Key
- FFPLKCIMJWWPHZ-UHFFFAOYSA-N
- Formula
- C10H15BrO2
- SMILES
- CC#CC(CC)OC(=O)CCCBr
- Molecular Weight1
- 247.13
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | 14.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -201.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 2.507 | Crippen Calculated Property | |
| McVol | 168.100 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Inp | [1453.00; 1453.00] |
|
|
| Inp | 1453.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Tboil | 579.21 | K | Joback Calculated Property |
| Tc | 790.63 | K | Joback Calculated Property |
| Tfus | 425.52 | K | Joback Calculated Property |
| Vc | 0.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.02; 443.99] | J/mol×K | [579.21; 790.63] |
|
| Cp,gas | 375.02 | J/mol×K | 579.21 | Joback Calculated Property |
| Cp,gas | 388.13 | J/mol×K | 614.45 | Joback Calculated Property |
| Cp,gas | 400.58 | J/mol×K | 649.68 | Joback Calculated Property |
| Cp,gas | 412.37 | J/mol×K | 684.92 | Joback Calculated Property |
| Cp,gas | 423.53 | J/mol×K | 720.16 | Joback Calculated Property |
| Cp,gas | 434.07 | J/mol×K | 755.40 | Joback Calculated Property |
| Cp,gas | 443.99 | J/mol×K | 790.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutanoic acid, hex-4-yn-3-yl ester.
Sources
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