- InChI
- InChI=1S/C13H17BrO3/c1-16-11-6-8-12(9-7-11)17-13(15)5-3-2-4-10-14/h6-9H,2-5,10H2,1H3
- InChI Key
- JSVXNJVKIMSPGN-UHFFFAOYSA-N
- Formula
- C13H17BrO3
- SMILES
- COc1ccc(OC(=O)CCCCCBr)cc1
- Molecular Weight1
- 301.18
- 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° | -163.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.556 | Crippen Calculated Property | |
| McVol | 201.080 | ml/mol | McGowan Calculated Property |
| Pc | 2374.90 | kPa | Joback Calculated Property |
| Inp | 2066.00 | NIST | |
| Tboil | 693.37 | K | Joback Calculated Property |
| Tc | 906.36 | K | Joback Calculated Property |
| Tfus | 429.40 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.37; 581.53] | J/mol×K | [693.37; 906.36] | 
|
| Cp,gas | 510.37 | J/mol×K | 693.37 | Joback Calculated Property |
| Cp,gas | 524.37 | J/mol×K | 728.87 | Joback Calculated Property |
| Cp,gas | 537.49 | J/mol×K | 764.37 | Joback Calculated Property |
| Cp,gas | 549.75 | J/mol×K | 799.87 | Joback Calculated Property |
| Cp,gas | 561.17 | J/mol×K | 835.36 | Joback Calculated Property |
| Cp,gas | 571.76 | J/mol×K | 870.86 | Joback Calculated Property |
| Cp,gas | 581.53 | J/mol×K | 906.36 | Joback Calculated Property |
| η | [0.0001178; 0.0008983] | Pa×s | [429.40; 693.37] |
|
| η | 0.0008983 | Pa×s | 429.40 | Joback Calculated Property |
| η | 0.0005470 | Pa×s | 473.40 | Joback Calculated Property |
| η | 0.0003624 | Pa×s | 517.39 | Joback Calculated Property |
| η | 0.0002561 | Pa×s | 561.38 | Joback Calculated Property |
| η | 0.0001904 | Pa×s | 605.38 | Joback Calculated Property |
| η | 0.0001473 | Pa×s | 649.38 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 693.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 4-methoxyphenyl ester.
Sources
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