- InChI
- InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3
- InChI Key
- PHMRPWPDDRGGGF-UHFFFAOYSA-N
- Formula
- C3H5Br
- SMILES
- C=C(C)Br
- Molecular Weight1
- 120.98
- CAS
- 557-93-7
- Other Names
-
- 2-Bromo-1-propene
- 2-Bromopropene
- 2-Bromopropylene
- CH3CBr=CH2
- Isopropylene bromide
- NSC 87535
- Propene, 2-bromo-
- «alpha»-Methylvinyl bromide
- 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).
- Pvap : Vapor 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 | 0.2277 | Relay (1.0) Calculated Property | |
| ΔfG° | 67.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 48.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 ± 0.02 | eV | NIST |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.915 | Crippen Calculated Property | |
| McVol | 66.330 | ml/mol | McGowan Calculated Property |
| Pc | 5175.72 | kPa | Joback Calculated Property |
| Tboil | [321.00; 321.60] | K |
|
| Tboil | 321.60 | K | NIST |
| Tboil | 321.00 | K | NIST |
| Tc | 511.68 | K | Relay (1.0) Calculated Property |
| Tfus | 166.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.255 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [73.45; 154.39] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.67000e+00 | |||
| Coefficient B | 3.06920e-01 | |||
| Coefficient C | -2.36000e-04 | |||
| Coefficient D | 7.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 73.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 88.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 100.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 111.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 121.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 129.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 136.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 142.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 148.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 154.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [231.53; 343.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48367e+01 | |||
| Coefficient B | -3.09866e+03 | |||
| Coefficient C | -1.85550e+01 | |||
| Temperature range, min. | 231.53 | |||
| Temperature range, max. | 343.87 | |||
| Pvap | 1.33 | kPa | 231.53 | Calculated Property |
| Pvap | 2.98 | kPa | 244.01 | Calculated Property |
| Pvap | 6.13 | kPa | 256.49 | Calculated Property |
| Pvap | 11.74 | kPa | 268.98 | Calculated Property |
| Pvap | 21.12 | kPa | 281.46 | Calculated Property |
| Pvap | 36.04 | kPa | 293.94 | Calculated Property |
| Pvap | 58.70 | kPa | 306.42 | Calculated Property |
| Pvap | 91.82 | kPa | 318.91 | Calculated Property |
| Pvap | 138.59 | kPa | 331.39 | Calculated Property |
| Pvap | 202.67 | kPa | 343.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 2-bromo-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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