- InChI
- InChI=1S/C18H19BrO2/c19-14-6-2-5-9-18(20)21-17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13H,2,5-6,9,14H2
- InChI Key
- DCBYCZLDASRQOO-UHFFFAOYSA-N
- Formula
- C18H19BrO2
- SMILES
-
O=C(CCCCCBr)Oc1ccc(-c2ccccc2)c
c1 - Molecular Weight1
- 347.25
- 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° | 96.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.47 | kJ/mol | Joback Calculated Property |
| log10WS | -6.49 | Crippen Calculated Property | |
| logPoct/wat | 5.214 | Crippen Calculated Property | |
| McVol | 241.900 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | [2766.00; 2766.00] |
|
|
| Inp | 2766.00 | NIST | |
| Inp | 2766.00 | NIST | |
| Tboil | 812.03 | K | Joback Calculated Property |
| Tc | 1047.08 | K | Joback Calculated Property |
| Tfus | 489.94 | K | Joback Calculated Property |
| Vc | 0.913 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [664.50; 735.92] | J/mol×K | [812.03; 1047.08] |
|
| Cp,gas | 664.50 | J/mol×K | 812.03 | Joback Calculated Property |
| Cp,gas | 679.10 | J/mol×K | 851.21 | Joback Calculated Property |
| Cp,gas | 692.53 | J/mol×K | 890.38 | Joback Calculated Property |
| Cp,gas | 704.85 | J/mol×K | 929.56 | Joback Calculated Property |
| Cp,gas | 716.15 | J/mol×K | 968.73 | Joback Calculated Property |
| Cp,gas | 726.48 | J/mol×K | 1007.91 | Joback Calculated Property |
| Cp,gas | 735.92 | J/mol×K | 1047.08 | Joback Calculated Property |
| η | [0.0000819; 0.0007136] | Pa×s | [489.94; 812.03] |
|
| η | 0.0007136 | Pa×s | 489.94 | Joback Calculated Property |
| η | 0.0004163 | Pa×s | 543.62 | Joback Calculated Property |
| η | 0.0002675 | Pa×s | 597.30 | Joback Calculated Property |
| η | 0.0001850 | Pa×s | 650.99 | Joback Calculated Property |
| η | 0.0001353 | Pa×s | 704.67 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 758.35 | Joback Calculated Property |
| η | 0.0000819 | Pa×s | 812.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 4-biphenyl ester.
Sources
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