- InChI
- InChI=1S/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H
- InChI Key
- BPVHWNVBBDHIQU-UHFFFAOYSA-N
- Formula
- C8H5Br
- SMILES
- BrC#Cc1ccccc1
- Molecular Weight1
- 181.03
- CAS
- 932-87-6
- Other Names
-
- (Bromoethynyl)benzene
- Bromophenylacetylene
- Phenylethynyl bromide
- 1-Bromo-2-phenylacetylene
- 1-Phenyl-2-bromoacetylene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | 346.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 326.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.27 | kJ/mol | Joback Calculated Property |
| IE | 8.65 | eV | NIST |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 2.390 | Crippen Calculated Property | |
| McVol | 108.720 | ml/mol | McGowan Calculated Property |
| Pc | 4917.69 | kPa | Joback Calculated Property |
| Tboil | 484.28 | K | Joback Calculated Property |
| Tc | 746.44 | K | Joback Calculated Property |
| Tfus | 372.24 | K | Joback Calculated Property |
| Vc | 0.400 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.08; 231.33] | J/mol×K | [484.28; 746.44] | 
|
| Cp,gas | 180.08 | J/mol×K | 484.28 | Joback Calculated Property |
| Cp,gas | 190.59 | J/mol×K | 527.97 | Joback Calculated Property |
| Cp,gas | 200.23 | J/mol×K | 571.67 | Joback Calculated Property |
| Cp,gas | 209.06 | J/mol×K | 615.36 | Joback Calculated Property |
| Cp,gas | 217.15 | J/mol×K | 659.05 | Joback Calculated Property |
| Cp,gas | 224.55 | J/mol×K | 702.74 | Joback Calculated Property |
| Cp,gas | 231.33 | J/mol×K | 746.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (bromoethynyl)-.
Sources
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