- InChI
- InChI=1S/C14H19BrO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11H,2-7H2,1H3
- InChI Key
- QMCHXDWPJPADAK-UHFFFAOYSA-N
- Formula
- C14H19BrO
- SMILES
- CCCCCCCC(=O)c1ccc(Br)cc1
- Molecular Weight1
- 283.20
- CAS
- 7295-48-9
- Other Names
-
- p-Octanoylbromobenzene
- 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 | 0.6742 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.992 | Crippen Calculated Property | |
| McVol | 203.430 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Tboil | 603.25 | K | Relay (1.0) Calculated Property |
| Tc | 802.26 | K | Relay (1.0) Calculated Property |
| Tfus | 318.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.741 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.18; 587.71] | J/mol×K | [671.41; 885.65] | 
|
| Cp,gas | 510.18 | J/mol×K | 671.41 | Joback Calculated Property |
| Cp,gas | 525.30 | J/mol×K | 707.12 | Joback Calculated Property |
| Cp,gas | 539.47 | J/mol×K | 742.82 | Joback Calculated Property |
| Cp,gas | 552.75 | J/mol×K | 778.53 | Joback Calculated Property |
| Cp,gas | 565.18 | J/mol×K | 814.24 | Joback Calculated Property |
| Cp,gas | 576.82 | J/mol×K | 849.94 | Joback Calculated Property |
| Cp,gas | 587.71 | J/mol×K | 885.65 | Joback Calculated Property |
| η | [0.0001750; 0.0016043] | Pa×s | [396.21; 671.41] |
|
| η | 0.0016043 | Pa×s | 396.21 | Joback Calculated Property |
| η | 0.0009156 | Pa×s | 442.08 | Joback Calculated Property |
| η | 0.0005807 | Pa×s | 487.94 | Joback Calculated Property |
| η | 0.0003982 | Pa×s | 533.81 | Joback Calculated Property |
| η | 0.0002899 | Pa×s | 579.68 | Joback Calculated Property |
| η | 0.0002211 | Pa×s | 625.54 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 671.41 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 420.50 ± 2.50 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to p-Bromophenyl heptyl ketone.
Sources
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