- 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 bromide
- trimethylene dibromide
- «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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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 | |
| I | 1419.00 | NIST | |
| Tboil | [343.70; 440.50] | K |
|
| Tboil | 440.05 | K | KDB |
| Tboil | 440.00 | K | NIST |
| Tboil | 440.50 | K | NIST |
| Tboil | Outlier 343.70 ± 0.30 | K | NIST |
| Tboil | 439.90 ± 0.30 | K | NIST |
| Tboil | 440.10 ± 0.20 | K | NIST |
| Tboil | 440.10 ± 0.20 | K | NIST |
| Tboil | 437.00 ± 4.00 | K | NIST |
| Tc | 629.05 | 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; 238.60] | K |
|
| Ttriple | 238.60 ± 0.20 | K | NIST |
| Ttriple | 238.60 ± 0.20 | K | NIST |
| Vc | 0.321 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [97.10; 192.24] | 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 | 1.65430e+01 | |||
| Coefficient B | 3.65200e-01 | |||
| Coefficient C | -2.82200e-04 | |||
| Coefficient D | 9.27000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 97.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 129.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 142.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 153.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 163.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 171.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 179.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 185.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 192.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033683; 0.0003931] | Pa×s | [238.51; 426.49] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.05673e+01 | |||
| Coefficient B | 1.16248e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 238.51 | |||
| Temperature range, max. | 426.49 | |||
| η | 0.0033683 | Pa×s | 238.51 | Calculated Property |
| η | 0.0022749 | Pa×s | 259.40 | Calculated Property |
| η | 0.0016291 | Pa×s | 280.28 | Calculated Property |
| η | 0.0012218 | Pa×s | 301.17 | Calculated Property |
| η | 0.0009513 | Pa×s | 322.06 | Calculated Property |
| η | 0.0007635 | Pa×s | 342.94 | Calculated Property |
| η | 0.0006285 | Pa×s | 363.83 | Calculated Property |
| η | 0.0005284 | Pa×s | 384.71 | Calculated Property |
| η | 0.0004523 | Pa×s | 405.60 | Calculated Property |
| η | 0.0003931 | Pa×s | 426.49 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 294.08] | kPa | [330.28; 467.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 3.97029e+01 | |||
| Coefficient B | -6.17431e+03 | |||
| Coefficient C | -3.53806e+00 | |||
| Coefficient D | 2.40591e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| 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 |
| Pvap | [0.13; 100.72] | kPa | [282.90; 440.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48140e+01 | |||
| Coefficient B | -4.09095e+03 | |||
| Coefficient C | -3.96910e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 282.90 | |||
| Temperature range, max. | 440.70 | |||
| Pvap | 0.13 | kPa | 282.90 | Calculated Property |
| Pvap | 0.42 | kPa | 300.43 | Calculated Property |
| Pvap | 1.12 | kPa | 317.97 | Calculated Property |
| Pvap | 2.68 | kPa | 335.50 | Calculated Property |
| Pvap | 5.80 | kPa | 353.03 | Calculated Property |
| Pvap | 11.59 | kPa | 370.57 | Calculated Property |
| Pvap | 21.59 | kPa | 388.10 | Calculated Property |
| Pvap | 37.89 | kPa | 405.63 | Calculated Property |
| Pvap | 63.18 | kPa | 423.17 | Calculated Property |
| Pvap | 100.72 | kPa | 440.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,3-dibromo-.
Mixtures
- 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-
- 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
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
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
These property values are available through the Cheméo API. A free account gives you an access key.