- InChI
- InChI=1S/C3H6BrNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)
- InChI Key
- DBIVLAVBOICUQX-UHFFFAOYSA-N
- Formula
- C3H6BrNO
- SMILES
- N=C(O)CCBr
- Molecular Weight1
- 151.99
- CAS
- 6320-96-3
- Other Names
-
- Propionamide, 3-bromo-,
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7031 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.307 | Crippen Calculated Property | |
| McVol | 82.180 | ml/mol | McGowan Calculated Property |
| Pc | 6940.25 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 538.09 | K | Relay (1.0) Calculated Property |
| Tc | 747.79 | K | Relay (1.0) Calculated Property |
| Tfus | 419.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.271 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [35.65; 152.11] | J/mol×K | [100.12; 510.72] | 
|
| Cp,gas | 35.65 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 35.65 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 35.65 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 35.65 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 35.65 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 35.65 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 152.11 | J/mol×K | 510.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-bromo-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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