- InChI
- InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2
- InChI Key
- BHELZAPQIKSEDF-UHFFFAOYSA-N
- Formula
- C3H5Br
- SMILES
- C=CCBr
- Molecular Weight1
- 120.98
- CAS
- 106-95-6
- Other Names
-
- 1-BROMO-2-PROPENE
- 2-PROPENYL BROMIDE
- 3-Bromo-1-propene
- 3-Bromopropene
- 3-Bromopropylene
- 3-bromoprop-1-ene
- ALLYL BROMIDE
- Bromallylene
- CH2=CHCH2Br
- NSC 7596
- Propene, 3-bromo-
- UN 1099
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2730 | KDB | |
| ΔfG° | 76.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [45.60; 47.70] | kJ/mol |
|
| ΔfH°gas | 47.70 | kJ/mol | NIST |
| ΔfH°gas | 45.60 ± 6.70 | kJ/mol | NIST |
| ΔfH°liquid | [13.00; 20.00] | kJ/mol |
|
| ΔfH°liquid | 20.00 | kJ/mol | NIST |
| ΔfH°liquid | 13.00 ± 5.90 | kJ/mol | NIST |
| ΔfusH° | 7.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [32.85; 33.00] | kJ/mol |
|
| ΔvapH° | 32.85 | kJ/mol | NIST |
| ΔvapH° | 33.00 ± 2.00 | kJ/mol | NIST |
| IE | [9.96; 10.18] | eV |
|
| IE | 9.96 | eV | NIST |
| IE | 10.00 | eV | NIST |
| IE | 10.01 | eV | NIST |
| IE | 10.18 | eV | NIST |
| IE | 10.06 | eV | NIST |
| log10WS | -1.50 | Aq. Sol... | |
| logPoct/wat | 1.567 | Crippen Calculated Property | |
| McVol | 66.330 | ml/mol | McGowan Calculated Property |
| Pc | 5140.00 | kPa | KDB |
| Tboil | [343.15; 344.00] | K |
|
| Tboil | 343.20 | K | KDB |
| Tboil | 343.70 | K | NIST |
| Tboil | 343.50 ± 0.50 | K | NIST |
| Tboil | 344.00 | K | NIST |
| Tboil | 343.30 | K | NIST |
| Tboil | 344.00 ± 0.50 | K | NIST |
| Tboil | 343.15 ± 0.30 | K | NIST |
| Tboil | 344.00 ± 4.00 | K | NIST |
| Tc | [540.20; 544.40] | K |
|
| Tc | 540.20 | K | KDB |
| Tc | 544.40 | K | NIST |
| Tfus | [153.75; 154.15] | K |
|
| Tfus | 154.00 | K | KDB |
| Tfus | 154.05 | K | Aq. Sol... |
| Tfus | 154.15 ± 0.60 | K | NIST |
| Tfus | 153.75 ± 0.30 | K | NIST |
| Vc | 0.246 | m3/kmol | KDB |
| Zc | 0.2820910 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [84.11; 112.60] | J/mol×K | [330.88; 520.87] |
|
| Cp,gas | 84.11 | J/mol×K | 330.88 | Joback Calculated Property |
| Cp,gas | 89.57 | J/mol×K | 362.54 | Joback Calculated Property |
| Cp,gas | 94.72 | J/mol×K | 394.21 | Joback Calculated Property |
| Cp,gas | 99.59 | J/mol×K | 425.87 | Joback Calculated Property |
| Cp,gas | 104.18 | J/mol×K | 457.54 | Joback Calculated Property |
| Cp,gas | 108.52 | J/mol×K | 489.20 | Joback Calculated Property |
| Cp,gas | 112.60 | J/mol×K | 520.87 | Joback Calculated Property |
| η | [0.0003461; 0.0026050] | Pa×s | [181.61; 330.88] |
|
| η | 0.0026050 | Pa×s | 181.61 | Joback Calculated Property |
| η | 0.0015195 | Pa×s | 206.49 | Joback Calculated Property |
| η | 0.0009953 | Pa×s | 231.37 | Joback Calculated Property |
| η | 0.0007077 | Pa×s | 256.25 | Joback Calculated Property |
| η | 0.0005346 | Pa×s | 281.12 | Joback Calculated Property |
| η | 0.0004226 | Pa×s | 306.00 | Joback Calculated Property |
| η | 0.0003461 | Pa×s | 330.88 | Joback Calculated Property |
| ΔvapH | [30.24; 32.20] | kJ/mol | [317.50; 343.30] |
|
| ΔvapH | 32.20 | kJ/mol | 317.50 | NIST |
| ΔvapH | 31.70 ± 0.10 | kJ/mol | 318.00 | NIST |
| ΔvapH | 31.00 ± 0.10 | kJ/mol | 330.00 | NIST |
| ΔvapH | 30.40 ± 0.10 | kJ/mol | 341.00 | NIST |
| ΔvapH | 30.24 | kJ/mol | 343.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [248.88; 366.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48222e+01 | |||
| Coefficient B | -3.24359e+03 | |||
| Coefficient C | -2.57210e+01 | |||
| Temperature range, min. | 248.88 | |||
| Temperature range, max. | 366.77 | |||
| Pvap | 1.33 | kPa | 248.88 | Calculated Property |
| Pvap | 2.98 | kPa | 261.98 | Calculated Property |
| Pvap | 6.14 | kPa | 275.08 | Calculated Property |
| Pvap | 11.75 | kPa | 288.18 | Calculated Property |
| Pvap | 21.14 | kPa | 301.28 | Calculated Property |
| Pvap | 36.06 | kPa | 314.37 | Calculated Property |
| Pvap | 58.73 | kPa | 327.47 | Calculated Property |
| Pvap | 91.85 | kPa | 340.57 | Calculated Property |
| Pvap | 138.61 | kPa | 353.67 | Calculated Property |
| Pvap | 202.66 | kPa | 366.77 | Calculated Property |
| Pvap | [13.07; 5162.14] | kPa | [290.15; 540.20] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 5.18997e+01 | |||
| Coefficient B | -5.28376e+03 | |||
| Coefficient C | -5.55985e+00 | |||
| Coefficient D | 4.84143e-06 | |||
| Temperature range, min. | 290.15 | |||
| Temperature range, max. | 540.20 | |||
| Pvap | 13.07 | kPa | 290.15 | Calculated Property |
| Pvap | 41.89 | kPa | 317.93 | Calculated Property |
| Pvap | 109.29 | kPa | 345.72 | Calculated Property |
| Pvap | 244.18 | kPa | 373.50 | Calculated Property |
| Pvap | 484.28 | kPa | 401.28 | Calculated Property |
| Pvap | 875.47 | kPa | 429.07 | Calculated Property |
| Pvap | 1471.43 | kPa | 456.85 | Calculated Property |
| Pvap | 2334.22 | kPa | 484.63 | Calculated Property |
| Pvap | 3536.00 | kPa | 512.42 | Calculated Property |
| Pvap | 5162.14 | kPa | 540.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3-bromo-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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