- InChI
- InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
- InChI Key
- NDSBDLSWTGLNQA-UHFFFAOYSA-N
- Formula
- C2HBr2N
- SMILES
- N#CC(Br)Br
- Molecular Weight1
- 198.84
- CAS
- 3252-43-5
- Other Names
-
- Dibromoacetonitrile
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4707 | Relay (... Calculated Property | |
| ΔfG° | 125.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 161.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.59 | kJ/mol | Relay (... Calculated Property |
| IE | 11.25 | eV | Relay (... Calculated Property |
| log10WS | -1.29 | Relay (... Calculated Property | |
| logPoct/wat | 1.626 | Crippen Calculated Property | |
| McVol | 75.420 | ml/mol | McGowan Calculated Property |
| Pc | 6018.58 | kPa | Joback Calculated Property |
| Inp | [853.30; 861.00] |
|
|
| Inp | 853.30 | NIST | |
| Inp | 853.30 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 857.00 | NIST | |
| Tboil | 417.19 | K | Relay (... Calculated Property |
| Tc | 670.19 | K | Relay (... Calculated Property |
| Tfus | 238.47 | K | Relay (... Calculated Property |
| Vc | 0.298 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [96.04; 108.59] | J/mol×K | [479.12; 720.72] |
|
| Cp,gas | 96.04 | J/mol×K | 479.12 | Joback Calculated Property |
| Cp,gas | 98.72 | J/mol×K | 519.39 | Joback Calculated Property |
| Cp,gas | 101.13 | J/mol×K | 559.65 | Joback Calculated Property |
| Cp,gas | 103.29 | J/mol×K | 599.92 | Joback Calculated Property |
| Cp,gas | 105.23 | J/mol×K | 640.18 | Joback Calculated Property |
| Cp,gas | 106.99 | J/mol×K | 680.45 | Joback Calculated Property |
| Cp,gas | 108.59 | J/mol×K | 720.72 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 341.20 | K | 3.20 | NIST |
Similar Compounds
Find more compounds similar to Acetonitrile, dibromo-.
Sources
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