- InChI
- InChI=1S/C14H19BrO2/c1-11-7-6-8-13(12(11)2)17-14(16)9-4-3-5-10-15/h6-8H,3-5,9-10H2,1-2H3
- InChI Key
- LBVRMQLIVZFDEF-UHFFFAOYSA-N
- Formula
- C14H19BrO2
- SMILES
- Cc1cccc(OC(=O)CCCCCBr)c1C
- Molecular Weight1
- 299.20
- 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 | 0.7760 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.164 | Crippen Calculated Property | |
| McVol | 209.300 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | [2125.00; 2125.00] |
|
|
| Inp | 2125.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Tboil | 600.72 | K | Relay (1.0) Calculated Property |
| Tc | 817.97 | K | Relay (1.0) Calculated Property |
| Tfus | 315.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.743 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.68; 610.73] | J/mol×K | [698.81; 911.64] |
|
| Cp,gas | 535.68 | J/mol×K | 698.81 | Joback Calculated Property |
| Cp,gas | 550.32 | J/mol×K | 734.28 | Joback Calculated Property |
| Cp,gas | 564.07 | J/mol×K | 769.75 | Joback Calculated Property |
| Cp,gas | 576.96 | J/mol×K | 805.23 | Joback Calculated Property |
| Cp,gas | 589.02 | J/mol×K | 840.70 | Joback Calculated Property |
| Cp,gas | 600.26 | J/mol×K | 876.17 | Joback Calculated Property |
| Cp,gas | 610.73 | J/mol×K | 911.64 | Joback Calculated Property |
| η | [0.0001348; 0.0009647] | Pa×s | [430.96; 698.81] |
|
| η | 0.0009647 | Pa×s | 430.96 | Joback Calculated Property |
| η | 0.0005958 | Pa×s | 475.60 | Joback Calculated Property |
| η | 0.0003997 | Pa×s | 520.24 | Joback Calculated Property |
| η | 0.0002856 | Pa×s | 564.88 | Joback Calculated Property |
| η | 0.0002144 | Pa×s | 609.53 | Joback Calculated Property |
| η | 0.0001673 | Pa×s | 654.17 | Joback Calculated Property |
| η | 0.0001348 | Pa×s | 698.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 2,3-dimethylphenyl ester.
Sources
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