- InChI
- InChI=1S/C15H21BrO2/c1-2-8-13-9-5-6-10-14(13)18-15(17)11-4-3-7-12-16/h5-6,9-10H,2-4,7-8,11-12H2,1H3
- InChI Key
- RERPNEREKHFAGY-UHFFFAOYSA-N
- Formula
- C15H21BrO2
- SMILES
- CCCc1ccccc1OC(=O)CCCCCBr
- Molecular Weight1
- 313.23
- 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° | -41.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 4.500 | Crippen Calculated Property | |
| McVol | 223.390 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | [2120.00; 2120.00] |
|
|
| Inp | 2120.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Tboil | 716.71 | K | Joback Calculated Property |
| Tc | 925.84 | K | Joback Calculated Property |
| Tfus | 429.71 | K | Joback Calculated Property |
| Vc | 0.854 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.86; 667.63] | J/mol×K | [716.71; 925.84] |
|
| Cp,gas | 589.86 | J/mol×K | 716.71 | Joback Calculated Property |
| Cp,gas | 605.05 | J/mol×K | 751.56 | Joback Calculated Property |
| Cp,gas | 619.30 | J/mol×K | 786.42 | Joback Calculated Property |
| Cp,gas | 632.65 | J/mol×K | 821.27 | Joback Calculated Property |
| Cp,gas | 645.14 | J/mol×K | 856.13 | Joback Calculated Property |
| Cp,gas | 656.78 | J/mol×K | 890.98 | Joback Calculated Property |
| Cp,gas | 667.63 | J/mol×K | 925.84 | Joback Calculated Property |
| η | [0.0001192; 0.0010728] | Pa×s | [429.71; 716.71] |
|
| η | 0.0010728 | Pa×s | 429.71 | Joback Calculated Property |
| η | 0.0006192 | Pa×s | 477.54 | Joback Calculated Property |
| η | 0.0003950 | Pa×s | 525.38 | Joback Calculated Property |
| η | 0.0002716 | Pa×s | 573.21 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 621.04 | Joback Calculated Property |
| η | 0.0001508 | Pa×s | 668.88 | Joback Calculated Property |
| η | 0.0001192 | Pa×s | 716.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 2-propylphenyl ester.
Sources
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