- InChI
- InChI=1S/C15H25BrO2/c1-4-5-9-14(12-13(2)3)18-15(17)10-7-6-8-11-16/h13-14H,4,6-8,10-12H2,1-3H3
- InChI Key
- VLUJDNGBNNOXGI-UHFFFAOYSA-N
- Formula
- C15H25BrO2
- SMILES
- CCC#CC(CC(C)C)OC(=O)CCCCCBr
- Molecular Weight1
- 317.26
- 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 | 0.6853 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 238.550 | ml/mol | McGowan Calculated Property |
| Pc | 1784.86 | kPa | Joback Calculated Property |
| Inp | 1856.00 | NIST | |
| Tboil | 555.48 | K | Relay (1.0) Calculated Property |
| Tc | 752.59 | K | Relay (1.0) Calculated Property |
| Tfus | 258.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.832 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.59; 715.57] | J/mol×K | [693.17; 893.72] | 
|
| Cp,gas | 629.59 | J/mol×K | 693.17 | Joback Calculated Property |
| Cp,gas | 646.05 | J/mol×K | 726.60 | Joback Calculated Property |
| Cp,gas | 661.62 | J/mol×K | 760.02 | Joback Calculated Property |
| Cp,gas | 676.33 | J/mol×K | 793.45 | Joback Calculated Property |
| Cp,gas | 690.21 | J/mol×K | 826.87 | Joback Calculated Property |
| Cp,gas | 703.28 | J/mol×K | 860.30 | Joback Calculated Property |
| Cp,gas | 715.57 | J/mol×K | 893.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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