- InChI
- InChI=1S/C13H17BrO2/c1-11-6-5-7-12(10-11)16-13(15)8-3-2-4-9-14/h5-7,10H,2-4,8-9H2,1H3
- InChI Key
- YHTFVGXZYPGPKO-UHFFFAOYSA-N
- Formula
- C13H17BrO2
- SMILES
- Cc1cccc(OC(=O)CCCCCBr)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° | -58.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 3.856 | Crippen Calculated Property | |
| McVol | 195.210 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| Inp | [1908.00; 1908.00] |
|
|
| Inp | 1908.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Tboil | 670.95 | K | Joback Calculated Property |
| Tc | 886.24 | K | Joback Calculated Property |
| Tfus | 407.17 | K | Joback Calculated Property |
| Vc | 0.742 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.55; 557.57] | J/mol×K | [670.95; 886.24] |
|
| Cp,gas | 484.55 | J/mol×K | 670.95 | Joback Calculated Property |
| Cp,gas | 498.85 | J/mol×K | 706.83 | Joback Calculated Property |
| Cp,gas | 512.25 | J/mol×K | 742.71 | Joback Calculated Property |
| Cp,gas | 524.79 | J/mol×K | 778.59 | Joback Calculated Property |
| Cp,gas | 536.50 | J/mol×K | 814.48 | Joback Calculated Property |
| Cp,gas | 547.42 | J/mol×K | 850.36 | Joback Calculated Property |
| Cp,gas | 557.57 | J/mol×K | 886.24 | Joback Calculated Property |
| η | [0.0001527; 0.0012407] | Pa×s | [407.17; 670.95] |
|
| η | 0.0012407 | Pa×s | 407.17 | Joback Calculated Property |
| η | 0.0007382 | Pa×s | 451.13 | Joback Calculated Property |
| η | 0.0004816 | Pa×s | 495.10 | Joback Calculated Property |
| η | 0.0003369 | Pa×s | 539.06 | Joback Calculated Property |
| η | 0.0002487 | Pa×s | 583.02 | Joback Calculated Property |
| η | 0.0001916 | Pa×s | 626.99 | Joback Calculated Property |
| η | 0.0001527 | Pa×s | 670.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 3-methylphenyl ester.
Sources
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