- InChI
- InChI=1S/C3H4Br2/c1-2-3(4)5/h2H,1H3
- InChI Key
- HTEJLXYOJZOXKM-UHFFFAOYSA-N
- Formula
- C3H4Br2
- SMILES
- CC=C(Br)Br
- Molecular Weight1
- 199.87
- CAS
- 13195-80-7
- Other Names
-
- 1,1-Dibromo-1-propene
- 1-Propene, 1,1-dibromo-
- 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 | 0.3086 | Relay (... Calculated Property | |
| ΔfG° | 74.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 49.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.27 | kJ/mol | Relay (... Calculated Property |
| IE | 8.99 | eV | Relay (... Calculated Property |
| log10WS | -3.10 | Relay (... Calculated Property | |
| logPoct/wat | 2.637 | Crippen Calculated Property | |
| McVol | 83.830 | ml/mol | McGowan Calculated Property |
| Pc | 5818.28 | kPa | Joback Calculated Property |
| Tboil | 395.72 | K | Relay (... Calculated Property |
| Tc | 580.21 | K | Relay (... Calculated Property |
| Tfus | 141.07 | K | Relay (... Calculated Property |
| Vc | 0.301 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.57; 134.52] | J/mol×K | [404.40; 629.17] | 
|
| Cp,gas | 107.57 | J/mol×K | 404.40 | Joback Calculated Property |
| Cp,gas | 113.17 | J/mol×K | 441.86 | Joback Calculated Property |
| Cp,gas | 118.28 | J/mol×K | 479.32 | Joback Calculated Property |
| Cp,gas | 122.92 | J/mol×K | 516.79 | Joback Calculated Property |
| Cp,gas | 127.14 | J/mol×K | 554.25 | Joback Calculated Property |
| Cp,gas | 131.00 | J/mol×K | 591.71 | Joback Calculated Property |
| Cp,gas | 134.52 | J/mol×K | 629.17 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [292.52; 447.29] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.31239e+01 | |||
| Coefficient B | -3.08950e+03 | |||
| Coefficient C | -5.18360e+01 | |||
| Temperature range, min. | 292.52 | |||
| Temperature range, max. | 447.29 | |||
| Pvap | 1.33 | kPa | 292.52 | Calculated Property |
| Pvap | 3.14 | kPa | 309.72 | Calculated Property |
| Pvap | 6.64 | kPa | 326.91 | Calculated Property |
| Pvap | 12.85 | kPa | 344.11 | Calculated Property |
| Pvap | 23.12 | kPa | 361.31 | Calculated Property |
| Pvap | 39.11 | kPa | 378.50 | Calculated Property |
| Pvap | 62.76 | kPa | 395.70 | Calculated Property |
| Pvap | 96.27 | kPa | 412.90 | Calculated Property |
| Pvap | 142.05 | kPa | 430.09 | Calculated Property |
| Pvap | 202.63 | kPa | 447.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Dibromopropene.
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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