- InChI
- InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2
- InChI Key
- ULTHEAFYOOPTTB-UHFFFAOYSA-N
- Formula
- C4H8Br2
- SMILES
- BrCCCCBr
- Molecular Weight1
- 215.91
- CAS
- 110-52-1
- Other Names
-
- 1,4-Butylene bromide
- 1,4-Dibrombutan
- 1,4-Dibromobutane
- BrCH2CH2CH2CH2Br
- DBB
- Dibromo-1,4 butane
- TETRAMETHYLENE DIBROMIDE
- 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).
- 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).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5240 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.98 | kJ/mol | NIST |
| ΔfH°liquid | -140.10 ± 5.10 | kJ/mol | NIST |
| ΔfusH° | 16.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [52.60; 53.09] | kJ/mol |
|
| ΔvapH° | 53.09 | kJ/mol | NIST |
| ΔvapH° | 52.60 | kJ/mol | NIST |
| ΔvapH° | 53.05 | kJ/mol | NIST |
| ΔvapH° | 53.09 ± 0.12 | kJ/mol | NIST |
| IE | [10.15; 10.27] | eV |
|
| IE | 10.15 | eV | NIST |
| IE | 10.27 | eV | NIST |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.556 | Crippen Calculated Property | |
| McVol | 102.220 | ml/mol | McGowan Calculated Property |
| Pc | 4665.71 | kPa | Joback Calculated Property |
| Inp | [1042.00; 1114.00] |
|
|
| Inp | 1094.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1084.60 | NIST | |
| Inp | 1057.70 | NIST | |
| I | [1559.00; 1584.00] |
|
|
| I | 1559.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1559.00 | NIST | |
| Tboil | [466.00; 471.00] | K |
|
| Tboil | 470.20 | K | NIST |
| Tboil | 466.00 ± 3.00 | K | NIST |
| Tboil | 471.00 ± 3.00 | K | NIST |
| Tc | 644.48 | K | Relay (1.0) Calculated Property |
| Tfus | 252.10 ± 0.50 | K | NIST |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [337.20; 338.00] | K | [0.80; 0.80] |
|
| Tboilr | 337.20 | K | 0.80 | NIST |
| Tboilr | 338.00 | K | 0.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [353.08; 498.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51599e+01 | |||
| Coefficient B | -4.23974e+03 | |||
| Coefficient C | -6.80070e+01 | |||
| Temperature range, min. | 353.08 | |||
| Temperature range, max. | 498.51 | |||
| Pvap | 1.33 | kPa | 353.08 | Calculated Property |
| Pvap | 2.96 | kPa | 369.24 | Calculated Property |
| Pvap | 6.06 | kPa | 385.40 | Calculated Property |
| Pvap | 11.58 | kPa | 401.56 | Calculated Property |
| Pvap | 20.83 | kPa | 417.72 | Calculated Property |
| Pvap | 35.58 | kPa | 433.87 | Calculated Property |
| Pvap | 58.08 | kPa | 450.03 | Calculated Property |
| Pvap | 91.12 | kPa | 466.19 | Calculated Property |
| Pvap | 138.03 | kPa | 482.35 | Calculated Property |
| Pvap | 202.66 | kPa | 498.51 | Calculated Property |
| Pvap | [4.00; 320.55] | kPa | [375.15; 520.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.74283e+01 | |||
| Coefficient B | -1.01050e+04 | |||
| Coefficient C | -1.17919e+01 | |||
| Coefficient D | 5.60527e-06 | |||
| Temperature range, min. | 375.15 | |||
| Temperature range, max. | 520.15 | |||
| Pvap | 4.00 | kPa | 375.15 | Calculated Property |
| Pvap | 7.92 | kPa | 391.26 | Calculated Property |
| Pvap | 14.69 | kPa | 407.37 | Calculated Property |
| Pvap | 25.76 | kPa | 423.48 | Calculated Property |
| Pvap | 42.98 | kPa | 439.59 | Calculated Property |
| Pvap | 68.71 | kPa | 455.71 | Calculated Property |
| Pvap | 105.76 | kPa | 471.82 | Calculated Property |
| Pvap | 157.45 | kPa | 487.93 | Calculated Property |
| Pvap | 227.60 | kPa | 504.04 | Calculated Property |
| Pvap | 320.55 | kPa | 520.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,4-dibromo-.
Mixtures
- Ethyl formate + Butane, 1,4-dibromo-
- Ethyl Acetate + Butane, 1,4-dibromo-
- Propanoic acid, ethyl ester + Butane, 1,4-dibromo-
- Butanoic acid, ethyl ester + Butane, 1,4-dibromo-
- Pentanoic acid, ethyl ester + Butane, 1,4-dibromo-
- Methyl formate + Butane, 1,4-dibromo-
- Acetic acid, methyl ester + Butane, 1,4-dibromo-
- Methyl propionate + Butane, 1,4-dibromo-
- Butanoic acid, methyl ester + Butane, 1,4-dibromo-
- Methyl valerate + Butane, 1,4-dibromo-
- Formic acid, butyl ester + Butane, 1,4-dibromo-
- Acetic acid, butyl ester + Butane, 1,4-dibromo-
- Propanoic acid, butyl ester + Butane, 1,4-dibromo-
- Butanoic acid, butyl ester + Butane, 1,4-dibromo-
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- 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
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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