- InChI
- InChI=1S/C15H19BrO2/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h6-12H,3-5H2,1-2H3/b7-6+
- InChI Key
- ADKQMQRHYQJUPD-VOTSOKGWSA-N
- Formula
- C15H19BrO2
- SMILES
- CCCCC=CC(C)OC(=O)c1ccc(Br)cc1
- Molecular Weight1
- 311.21
- 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.
- 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° | 36.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 4.741 | Crippen Calculated Property | |
| McVol | 219.090 | ml/mol | McGowan Calculated Property |
| Pc | 2129.52 | kPa | Joback Calculated Property |
| Inp | [1923.00; 1923.00] |
|
|
| Inp | 1923.00 | NIST | |
| Inp | 1923.00 | NIST | |
| Tboil | 720.43 | K | Joback Calculated Property |
| Tc | 940.78 | K | Joback Calculated Property |
| Tfus | 409.63 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.72; 642.62] | J/mol×K | [720.43; 940.78] |
|
| Cp,gas | 566.72 | J/mol×K | 720.43 | Joback Calculated Property |
| Cp,gas | 581.64 | J/mol×K | 757.16 | Joback Calculated Property |
| Cp,gas | 595.59 | J/mol×K | 793.88 | Joback Calculated Property |
| Cp,gas | 608.60 | J/mol×K | 830.61 | Joback Calculated Property |
| Cp,gas | 620.74 | J/mol×K | 867.33 | Joback Calculated Property |
| Cp,gas | 632.06 | J/mol×K | 904.06 | Joback Calculated Property |
| Cp,gas | 642.62 | J/mol×K | 940.78 | Joback Calculated Property |
| η | [0.0000953; 0.0011585] | Pa×s | [409.63; 720.43] |
|
| η | 0.0011585 | Pa×s | 409.63 | Joback Calculated Property |
| η | 0.0006047 | Pa×s | 461.43 | Joback Calculated Property |
| η | 0.0003599 | Pa×s | 513.23 | Joback Calculated Property |
| η | 0.0002356 | Pa×s | 565.03 | Joback Calculated Property |
| η | 0.0001656 | Pa×s | 616.83 | Joback Calculated Property |
| η | 0.0001229 | Pa×s | 668.63 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 720.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobenzoic acid, oct-3-en-2-yl ester.
Sources
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