- InChI
- InChI=1S/C15H20BrClO2/c16-14-9-7-8-13(12-14)15(18)19-11-6-4-2-1-3-5-10-17/h7-9,12H,1-6,10-11H2
- InChI Key
- CMHBCXFMGCTGMY-UHFFFAOYSA-N
- Formula
- C15H20BrClO2
- SMILES
- O=C(OCCCCCCCCCl)c1cccc(Br)c1
- Molecular Weight1
- 347.68
- 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° | -53.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 5.185 | Crippen Calculated Property | |
| McVol | 235.630 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | [2456.00; 2456.00] |
|
|
| Inp | 2456.00 | NIST | |
| Inp | 2456.00 | NIST | |
| Tboil | 754.14 | K | Joback Calculated Property |
| Tc | 966.59 | K | Joback Calculated Property |
| Tfus | 459.63 | K | Joback Calculated Property |
| Vc | 0.902 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.40; 687.86] | J/mol×K | [754.14; 966.59] |
|
| Cp,gas | 616.40 | J/mol×K | 754.14 | Joback Calculated Property |
| Cp,gas | 630.50 | J/mol×K | 789.55 | Joback Calculated Property |
| Cp,gas | 643.67 | J/mol×K | 824.96 | Joback Calculated Property |
| Cp,gas | 655.95 | J/mol×K | 860.36 | Joback Calculated Property |
| Cp,gas | 667.38 | J/mol×K | 895.77 | Joback Calculated Property |
| Cp,gas | 678.01 | J/mol×K | 931.18 | Joback Calculated Property |
| Cp,gas | 687.86 | J/mol×K | 966.59 | Joback Calculated Property |
| η | [0.0001051; 0.0009013] | Pa×s | [459.63; 754.14] |
|
| η | 0.0009013 | Pa×s | 459.63 | Joback Calculated Property |
| η | 0.0005300 | Pa×s | 508.71 | Joback Calculated Property |
| η | 0.0003422 | Pa×s | 557.80 | Joback Calculated Property |
| η | 0.0002371 | Pa×s | 606.88 | Joback Calculated Property |
| η | 0.0001736 | Pa×s | 655.97 | Joback Calculated Property |
| η | 0.0001327 | Pa×s | 705.06 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 754.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromobenzoic acid, 8-chlorooctyl ester.
Sources
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