- InChI
- InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2
- InChI Key
- YORCIIVHUBAYBQ-UHFFFAOYSA-N
- Formula
- C3H3Br
- SMILES
- C#CCBr
- Molecular Weight1
- 118.96
- CAS
- 106-96-7
- Other Names
-
- Propyne, 3-bromo-
- Propargyl bromide
- 1-Bromo-2-propyne
- 2-Propynyl bromide
- 3-Bromo-1-propyne
- 3-Bromopropyne
- «gamma»-Bromoallylene
- 1-Brom-2-propin
- UN 2345
- Progargyl bromide
- NSC 8801
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 211.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 212.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.56 | kJ/mol | Joback Calculated Property |
| IE | [10.43; 10.48] | eV |
|
| IE | 10.48 | eV | NIST |
| IE | 10.43 | eV | NIST |
| IE | 10.47 | eV | NIST |
| log10WS | -1.30 | Crippen Calculated Property | |
| logPoct/wat | 1.014 | Crippen Calculated Property | |
| McVol | 62.030 | ml/mol | McGowan Calculated Property |
| Pc | 6018.58 | kPa | Joback Calculated Property |
| Tboil | [362.00; 362.20] | K |
|
| Tboil | 362.00 ± 1.00 | K | NIST |
| Tboil | 362.20 | K | NIST |
| Tc | 524.58 | K | Joback Calculated Property |
| Tfus | 230.34 | K | Joback Calculated Property |
| Vc | 0.228 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [78.61; 98.64] | J/mol×K | [324.32; 524.58] |
|
| Cp,gas | 78.61 | J/mol×K | 324.32 | Joback Calculated Property |
| Cp,gas | 82.58 | J/mol×K | 357.70 | Joback Calculated Property |
| Cp,gas | 86.28 | J/mol×K | 391.07 | Joback Calculated Property |
| Cp,gas | 89.71 | J/mol×K | 424.45 | Joback Calculated Property |
| Cp,gas | 92.91 | J/mol×K | 457.83 | Joback Calculated Property |
| Cp,gas | 95.88 | J/mol×K | 491.20 | Joback Calculated Property |
| Cp,gas | 98.64 | J/mol×K | 524.58 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 306.20 | K | 17.30 | NIST |
Similar Compounds
Find more compounds similar to 1-Propyne, 3-bromo-.
Sources
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