- InChI
- InChI=1S/C16H17BrO2/c17-11-5-1-2-8-16(18)19-15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12H,1-2,5,8,11H2
- InChI Key
- XQCOAGSPTVBHIO-UHFFFAOYSA-N
- Formula
- C16H17BrO2
- SMILES
- O=C(CCCCCBr)Oc1ccc2ccccc2c1
- Molecular Weight1
- 321.21
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8138 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.700 | Crippen Calculated Property | |
| McVol | 218.020 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | [2418.00; 2418.00] |
|
|
| Inp | 2418.00 | NIST | |
| Inp | 2418.00 | NIST | |
| Tboil | 660.75 | K | Relay (1.0) Calculated Property |
| Tc | 905.32 | K | Relay (1.0) Calculated Property |
| Tfus | 344.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.775 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.50; 645.82] | J/mol×K | [758.57; 986.97] |
|
| Cp,gas | 575.50 | J/mol×K | 758.57 | Joback Calculated Property |
| Cp,gas | 589.40 | J/mol×K | 796.64 | Joback Calculated Property |
| Cp,gas | 602.33 | J/mol×K | 834.70 | Joback Calculated Property |
| Cp,gas | 614.36 | J/mol×K | 872.77 | Joback Calculated Property |
| Cp,gas | 625.57 | J/mol×K | 910.84 | Joback Calculated Property |
| Cp,gas | 636.03 | J/mol×K | 948.91 | Joback Calculated Property |
| Cp,gas | 645.82 | J/mol×K | 986.97 | Joback Calculated Property |
| η | [0.0001962; 0.0010829] | Pa×s | [473.68; 758.57] |
|
| η | 0.0010829 | Pa×s | 473.68 | Joback Calculated Property |
| η | 0.0007155 | Pa×s | 521.16 | Joback Calculated Property |
| η | 0.0005066 | Pa×s | 568.64 | Joback Calculated Property |
| η | 0.0003783 | Pa×s | 616.12 | Joback Calculated Property |
| η | 0.0002946 | Pa×s | 663.61 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 711.09 | Joback Calculated Property |
| η | 0.0001962 | Pa×s | 758.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 2-naphthyl ester.
Sources
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