- InChI
- InChI=1S/C19H33BrO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-19(21)16-13-12-14-17-20/h2-10,12-14,16-18H2,1H3
- InChI Key
- QZODGTJJDJNAKI-UHFFFAOYSA-N
- Formula
- C19H33BrO2
- SMILES
- CCCCCCCCCCC#CCOC(=O)CCCCCBr
- Molecular Weight1
- 373.37
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.9153 | Relay (1.0) Calculated Property | |
| ΔfG° | 92.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.019 | Crippen Calculated Property | |
| McVol | 294.910 | ml/mol | McGowan Calculated Property |
| Pc | 1306.12 | kPa | Joback Calculated Property |
| Inp | [2410.00; 2410.00] |
|
|
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Tboil | 613.62 | K | Relay (1.0) Calculated Property |
| Tc | 808.93 | K | Relay (1.0) Calculated Property |
| Tfus | 300.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.077 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [855.11; 946.09] | J/mol×K | [785.57; 976.98] |
|
| Cp,gas | 855.11 | J/mol×K | 785.57 | Joback Calculated Property |
| Cp,gas | 872.49 | J/mol×K | 817.47 | Joback Calculated Property |
| Cp,gas | 888.94 | J/mol×K | 849.37 | Joback Calculated Property |
| Cp,gas | 904.50 | J/mol×K | 881.27 | Joback Calculated Property |
| Cp,gas | 919.18 | J/mol×K | 913.17 | Joback Calculated Property |
| Cp,gas | 933.04 | J/mol×K | 945.08 | Joback Calculated Property |
| Cp,gas | 946.09 | J/mol×K | 976.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, tridec-2-ynyl ester.
Sources
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