- InChI
- InChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3
- InChI Key
- DEFNUDNHTUZJAL-UHFFFAOYSA-N
- Formula
- C4H7Br
- SMILES
- CC(C)=CBr
- Molecular Weight1
- 135.00
- CAS
- 3017-69-4
- Other Names
-
- 1-Bromo-2-methyl-1-propene
- 1-Propene, 1-bromo-2-methyl-
- 2-Methyl-1-propenyl bromide
- Isocrotyl bromide
- Propene, 1-bromo-2-methyl-
- «beta»,«beta»-Dimethylvinylbromide
- «beta»,«beta»-Dimethylvinylbromide
- 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 | 0.2544 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.305 | Crippen Calculated Property | |
| McVol | 80.420 | ml/mol | McGowan Calculated Property |
| Pc | 4590.15 | kPa | Joback Calculated Property |
| Tboil | 360.00 ± 4.00 | K | NIST |
| Tc | 547.50 | K | Relay (1.0) Calculated Property |
| Tfus | 209.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.295 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.99; 152.11] | J/mol×K | [361.12; 561.25] | 
|
| Cp,gas | 112.99 | J/mol×K | 361.12 | Joback Calculated Property |
| Cp,gas | 120.59 | J/mol×K | 394.48 | Joback Calculated Property |
| Cp,gas | 127.72 | J/mol×K | 427.83 | Joback Calculated Property |
| Cp,gas | 134.41 | J/mol×K | 461.19 | Joback Calculated Property |
| Cp,gas | 140.69 | J/mol×K | 494.54 | Joback Calculated Property |
| Cp,gas | 146.58 | J/mol×K | 527.90 | Joback Calculated Property |
| Cp,gas | 152.11 | J/mol×K | 561.25 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 239.14] | kPa | [275.00; 387.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40552e+01 | |||
| Coefficient B | -2.55000e+03 | |||
| Coefficient C | -8.97840e+01 | |||
| Temperature range, min. | 275.00 | |||
| Temperature range, max. | 387.05 | |||
| Pvap | 1.33 | kPa | 275.00 | Calculated Property |
| Pvap | 3.17 | kPa | 287.45 | Calculated Property |
| Pvap | 6.81 | kPa | 299.90 | Calculated Property |
| Pvap | 13.44 | kPa | 312.35 | Calculated Property |
| Pvap | 24.65 | kPa | 324.80 | Calculated Property |
| Pvap | 42.56 | kPa | 337.25 | Calculated Property |
| Pvap | 69.71 | kPa | 349.70 | Calculated Property |
| Pvap | 109.16 | kPa | 362.15 | Calculated Property |
| Pvap | 164.37 | kPa | 374.60 | Calculated Property |
| Pvap | 239.14 | kPa | 387.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-2-methylpropene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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