- InChI
- InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2
- InChI Key
- VEFLKXRACNJHOV-UHFFFAOYSA-N
- Formula
- C3H6Br2
- SMILES
- BrCCCBr
- Molecular Weight1
- 201.89
- CAS
- 109-64-8
- Other Names
-
- 1,3-Dibromopropane
- CH2BrCH2CH2Br
- Dibromo-1,3 propane
- TRIMETHYLENE DIBROMIDE
- Trimethylene bromide
- «alpha»,«gamma»-Dibromopropane
- «omega»,«omega»'-Dibromopropane
- «alpha»,«gamma»-Dibromopropane
- «omega»,«omega»'-Dibromopropane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.5027 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -67.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [45.30; 47.60] | kJ/mol |
|
| ΔvapH° | 47.46 | kJ/mol | NIST |
| ΔvapH° | 47.60 | kJ/mol | NIST |
| ΔvapH° | 47.45 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 45.30 | kJ/mol | NIST |
| IE | [10.07; 10.26] | eV |
|
| IE | 10.07 ± 0.02 | eV | NIST |
| IE | 10.10 | eV | NIST |
| IE | 10.26 | eV | NIST |
| log10WS | -2.08 | Aq. Solubility Prediction | |
| logPoct/wat | 2.166 | Crippen Calculated Property | |
| McVol | 88.130 | ml/mol | McGowan Calculated Property |
| Pc | 5343.52 | kPa | Joback Calculated Property |
| Inp | [919.00; 989.00] |
|
|
| Inp | 971.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 963.70 | NIST | |
| Inp | 937.70 | NIST | |
| I | [1419.00; 1460.00] |
|
|
| I | 1419.00 | NIST | |
| I | 1422.00 | NIST | |
| I | 1460.00 | NIST | |
| Tboil | 440.05 | K | KDB |
| Tc | 623.78 | K | Relay (1.0) Calculated Property |
| Tfus | [237.00; 239.10] | K |
|
| Tfus | 238.65 | K | KDB |
| Tfus | 239.10 | K | Aq. Solubility Prediction |
| Tfus | 238.95 ± 0.60 | K | NIST |
| Tfus | 237.00 ± 0.40 | K | NIST |
| Tfus | 238.85 ± 0.50 | K | NIST |
| Ttriple | 238.60 ± 0.20 | K | NIST |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 294.08] | kPa | [330.28; 467.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61869e+01 | |||
| Coefficient B | -4.23517e+03 | |||
| Coefficient C | -6.39080e+01 | |||
| Temperature range, min. | 330.28 | |||
| Temperature range, max. | 467.14 | |||
| Pvap | 1.33 | kPa | 330.28 | Calculated Property |
| Pvap | 3.15 | kPa | 345.49 | Calculated Property |
| Pvap | 6.80 | kPa | 360.69 | Calculated Property |
| Pvap | 13.63 | kPa | 375.90 | Calculated Property |
| Pvap | 25.62 | kPa | 391.11 | Calculated Property |
| Pvap | 45.51 | kPa | 406.31 | Calculated Property |
| Pvap | 77.01 | kPa | 421.52 | Calculated Property |
| Pvap | 124.84 | kPa | 436.73 | Calculated Property |
| Pvap | 194.85 | kPa | 451.93 | Calculated Property |
| Pvap | 294.08 | kPa | 467.14 | Calculated Property |
| Pvap | [0.15; 102.57] | kPa | [283.15; 441.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.97029e+01 | |||
| Coefficient B | -6.17431e+03 | |||
| Coefficient C | -3.53806e+00 | |||
| Coefficient D | 2.40591e-06 | |||
| Temperature range, min. | 283.15 | |||
| Temperature range, max. | 441.15 | |||
| Pvap | 0.15 | kPa | 283.15 | Calculated Property |
| Pvap | 0.45 | kPa | 300.71 | Calculated Property |
| Pvap | 1.17 | kPa | 318.26 | Calculated Property |
| Pvap | 2.74 | kPa | 335.82 | Calculated Property |
| Pvap | 5.88 | kPa | 353.37 | Calculated Property |
| Pvap | 11.67 | kPa | 370.93 | Calculated Property |
| Pvap | 21.71 | kPa | 388.48 | Calculated Property |
| Pvap | 38.17 | kPa | 406.04 | Calculated Property |
| Pvap | 63.92 | kPa | 423.59 | Calculated Property |
| Pvap | 102.57 | kPa | 441.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,3-dibromo-.
Mixtures
- Ethyl formate + Propane, 1,3-dibromo-
- Propane, 1,3-dibromo- + Ethyl Acetate
- Propanoic acid, ethyl ester + Propane, 1,3-dibromo-
- Propane, 1,3-dibromo- + Butanoic acid, ethyl ester
- Pentanoic acid, ethyl ester + Propane, 1,3-dibromo-
- Propane, 1,3-dibromo- + Methyl formate
- Propane, 1,3-dibromo- + Acetic acid, methyl ester
- Propane, 1,3-dibromo- + Methyl propionate
- Butanoic acid, methyl ester + Propane, 1,3-dibromo-
- Propane, 1,3-dibromo- + Methyl valerate
- Formic acid, butyl ester + Propane, 1,3-dibromo-
- Propane, 1,3-dibromo- + Acetic acid, butyl ester
- Propanoic acid, butyl ester + Propane, 1,3-dibromo-
- Butanoic acid, butyl ester + Propane, 1,3-dibromo-
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Thermodynamic and Acoustic Properties of 1,3-Dibromopropane and 1,5-Dibromopentane within the Temperature Range From 293K to 313K at Pressures up to 100MPa
- Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) II: HE m and V E m for 25 binary mixtures {xCu-1H2u-1CO2C2H5 + (1 - x)a,x-BrCH2(CH2)v-2CH2Br}, where u = 1 to 5, a = 1 and v = x = 2 to 6
- Thermodynamic study of (alkyl esters + alpha,omega-alkyl dihalides) IV: Hex and Vex for 25 binary mixtures {xC(u-1)H(2u-1)CO2CH3 + (1-x)alpha,omega-BrCH2(CH2)(v-2)CH2Br}, where u = 1 to 5, alpha = 1 and v = omega = 2 to 6
- Thermodynamic study of (alkyl esters + alpha,beta-alkyl dihalides) VI.H and V for 20 binary mixtures {xCu-1H2u-1CO2(CH2)3CH3 + (1 - x)alpha,omega-BrCH2(CH2)v-2CH2Br}, where u = 1 to 5, alpha = 1, and v = omega = 2 to 6
- The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
- Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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