- InChI
- InChI=1S/C13H17BrO2/c1-10-7-11(2)9-12(8-10)16-13(15)5-3-4-6-14/h7-9H,3-6H2,1-2H3
- InChI Key
- AKENPROYQNLQBL-UHFFFAOYSA-N
- Formula
- C13H17BrO2
- SMILES
- Cc1cc(C)cc(OC(=O)CCCCBr)c1
- Molecular Weight1
- 285.18
- 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° | -67.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.42 | Crippen Calculated Property | |
| logPoct/wat | 3.774 | Crippen Calculated Property | |
| McVol | 195.210 | ml/mol | McGowan Calculated Property |
| Pc | 2379.54 | kPa | Joback Calculated Property |
| Inp | 1887.00 | NIST | |
| Tboil | 675.93 | K | Joback Calculated Property |
| Tc | 892.07 | K | Joback Calculated Property |
| Tfus | 419.69 | K | Joback Calculated Property |
| Vc | 0.742 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.63; 556.06] | J/mol×K | [675.93; 892.07] | 
|
| Cp,gas | 483.63 | J/mol×K | 675.93 | Joback Calculated Property |
| Cp,gas | 497.76 | J/mol×K | 711.95 | Joback Calculated Property |
| Cp,gas | 511.04 | J/mol×K | 747.98 | Joback Calculated Property |
| Cp,gas | 523.48 | J/mol×K | 784.00 | Joback Calculated Property |
| Cp,gas | 535.12 | J/mol×K | 820.02 | Joback Calculated Property |
| Cp,gas | 545.97 | J/mol×K | 856.05 | Joback Calculated Property |
| Cp,gas | 556.06 | J/mol×K | 892.07 | Joback Calculated Property |
| η | [0.0001518; 0.0010290] | Pa×s | [419.69; 675.93] |
|
| η | 0.0010290 | Pa×s | 419.69 | Joback Calculated Property |
| η | 0.0006456 | Pa×s | 462.40 | Joback Calculated Property |
| η | 0.0004382 | Pa×s | 505.10 | Joback Calculated Property |
| η | 0.0003160 | Pa×s | 547.81 | Joback Calculated Property |
| η | 0.0002389 | Pa×s | 590.52 | Joback Calculated Property |
| η | 0.0001876 | Pa×s | 633.22 | Joback Calculated Property |
| η | 0.0001518 | Pa×s | 675.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 3,5-dimethylphenyl ester.
Sources
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