- InChI
- InChI=1S/C14H25BrO2/c1-3-4-5-7-10-13(2)17-14(16)11-8-6-9-12-15/h7,10,13H,3-6,8-9,11-12H2,1-2H3/b10-7+
- InChI Key
- OAYIJFZMPRIJHZ-JXMROGBWSA-N
- Formula
- C14H25BrO2
- SMILES
- CCCCC=CC(C)OC(=O)CCCCCBr
- Molecular Weight1
- 305.25
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -74.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 4.620 | Crippen Calculated Property | |
| McVol | 228.760 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | [1807.00; 1807.00] |
|
|
| Inp | 1807.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Tboil | 665.89 | K | Joback Calculated Property |
| Tc | 854.11 | K | Joback Calculated Property |
| Tfus | 359.42 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.57; 679.80] | J/mol×K | [665.89; 854.11] |
|
| Cp,gas | 596.57 | J/mol×K | 665.89 | Joback Calculated Property |
| Cp,gas | 612.33 | J/mol×K | 697.26 | Joback Calculated Property |
| Cp,gas | 627.29 | J/mol×K | 728.63 | Joback Calculated Property |
| Cp,gas | 641.49 | J/mol×K | 760.00 | Joback Calculated Property |
| Cp,gas | 654.95 | J/mol×K | 791.37 | Joback Calculated Property |
| Cp,gas | 667.71 | J/mol×K | 822.74 | Joback Calculated Property |
| Cp,gas | 679.80 | J/mol×K | 854.11 | Joback Calculated Property |
| η | [0.0001079; 0.0020410] | Pa×s | [359.42; 665.89] |
|
| η | 0.0020410 | Pa×s | 359.42 | Joback Calculated Property |
| η | 0.0009218 | Pa×s | 410.50 | Joback Calculated Property |
| η | 0.0004965 | Pa×s | 461.58 | Joback Calculated Property |
| η | 0.0003025 | Pa×s | 512.65 | Joback Calculated Property |
| η | 0.0002016 | Pa×s | 563.73 | Joback Calculated Property |
| η | 0.0001437 | Pa×s | 614.81 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 665.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, oct-3-en-2-yl ester.
Sources
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