- InChI
- InChI=1S/C14H21Br/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8H2,1H3
- InChI Key
- OOZQSVXPBCINJF-UHFFFAOYSA-N
- Formula
- C14H21Br
- SMILES
- CCCCCCCCc1ccc(Br)cc1
- Molecular Weight1
- 269.22
- CAS
- 51554-93-9
- Other Names
-
- p-Octylbromobenzene
- ω : Acentric Factor.
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6201 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.352 | Crippen Calculated Property | |
| McVol | 201.860 | ml/mol | McGowan Calculated Property |
| Pc | 2110.00 | kPa | Joback Calculated Property |
| Tboil | 584.04 | K | Relay (1.0) Calculated Property |
| Tc | 769.63 | K | Relay (1.0) Calculated Property |
| Tfus | 268.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.761 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.40; 576.88] | J/mol×K | [617.54; 825.06] | 
|
| Cp,gas | 490.40 | J/mol×K | 617.54 | Joback Calculated Property |
| Cp,gas | 507.06 | J/mol×K | 652.13 | Joback Calculated Property |
| Cp,gas | 522.75 | J/mol×K | 686.71 | Joback Calculated Property |
| Cp,gas | 537.54 | J/mol×K | 721.30 | Joback Calculated Property |
| Cp,gas | 551.46 | J/mol×K | 755.89 | Joback Calculated Property |
| Cp,gas | 564.55 | J/mol×K | 790.48 | Joback Calculated Property |
| Cp,gas | 576.88 | J/mol×K | 825.06 | Joback Calculated Property |
| η | [0.0001715; 0.0018994] | Pa×s | [346.28; 617.54] |
|
| η | 0.0018994 | Pa×s | 346.28 | Joback Calculated Property |
| η | 0.0010094 | Pa×s | 391.49 | Joback Calculated Property |
| η | 0.0006115 | Pa×s | 436.70 | Joback Calculated Property |
| η | 0.0004069 | Pa×s | 481.91 | Joback Calculated Property |
| η | 0.0002904 | Pa×s | 527.12 | Joback Calculated Property |
| η | 0.0002186 | Pa×s | 572.33 | Joback Calculated Property |
| η | 0.0001715 | Pa×s | 617.54 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.50 ± 1.50 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to p-Bromophenyloctane.
Sources
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