- InChI
- InChI=1S/C14H19BrO2/c1-2-12-7-6-8-13(11-12)17-14(16)9-4-3-5-10-15/h6-8,11H,2-5,9-10H2,1H3
- InChI Key
- CGPARSXTTAMAJJ-UHFFFAOYSA-N
- Formula
- C14H19BrO2
- SMILES
- CCc1cccc(OC(=O)CCCCCBr)c1
- 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 | 0.7921 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.110 | Crippen Calculated Property | |
| McVol | 209.300 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | [2093.00; 2093.00] |
|
|
| Inp | 2093.00 | NIST | |
| Inp | 2093.00 | NIST | |
| Tboil | 597.73 | K | Relay (1.0) Calculated Property |
| Tc | 807.58 | K | Relay (1.0) Calculated Property |
| Tfus | 270.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.57; 612.15] | J/mol×K | [693.83; 905.84] |
|
| Cp,gas | 536.57 | J/mol×K | 693.83 | Joback Calculated Property |
| Cp,gas | 551.35 | J/mol×K | 729.16 | Joback Calculated Property |
| Cp,gas | 565.21 | J/mol×K | 764.50 | Joback Calculated Property |
| Cp,gas | 578.19 | J/mol×K | 799.83 | Joback Calculated Property |
| Cp,gas | 590.31 | J/mol×K | 835.17 | Joback Calculated Property |
| Cp,gas | 601.62 | J/mol×K | 870.50 | Joback Calculated Property |
| Cp,gas | 612.15 | J/mol×K | 905.84 | Joback Calculated Property |
| η | [0.0001352; 0.0011575] | Pa×s | [418.44; 693.83] |
|
| η | 0.0011575 | Pa×s | 418.44 | Joback Calculated Property |
| η | 0.0006780 | Pa×s | 464.34 | Joback Calculated Property |
| η | 0.0004373 | Pa×s | 510.24 | Joback Calculated Property |
| η | 0.0003032 | Pa×s | 556.13 | Joback Calculated Property |
| η | 0.0002223 | Pa×s | 602.03 | Joback Calculated Property |
| η | 0.0001703 | Pa×s | 647.93 | Joback Calculated Property |
| η | 0.0001352 | Pa×s | 693.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 3-ethylphenyl ester.
Sources
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