- InChI
- InChI=1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3
- InChI Key
- XZNGUVQDFJHPLU-UHFFFAOYSA-N
- Formula
- C4H8Br2
- SMILES
- CC(Br)CCBr
- Molecular Weight1
- 215.91
- CAS
- 107-80-2
- Other Names
-
- 1,3-Dibromobutane
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4574 | Relay (1.0) Calculated Property | |
| ΔfG° | 9.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.28 | kJ/mol | NIST |
| ΔfH°liquid | -147.80 ± 5.10 | kJ/mol | NIST |
| ΔfusH° | 13.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.50 | kJ/mol | NIST |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.555 | Crippen Calculated Property | |
| McVol | 102.220 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Inp | [964.00; 987.00] |
|
|
| Inp | 987.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 964.00 | NIST | |
| Tboil | [447.20; 448.15] | K |
|
| Tboil | 447.20 | K | NIST |
| Tboil | 448.15 ± 1.50 | K | NIST |
| Tboil | 447.65 ± 2.00 | K | NIST |
| Tc | 634.75 | K | Relay (1.0) Calculated Property |
| Tfus | 222.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.361 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.15; 199.46] | J/mol×K | [422.80; 634.29] |
|
| Cp,gas | 158.15 | J/mol×K | 422.80 | Joback Calculated Property |
| Cp,gas | 166.17 | J/mol×K | 458.05 | Joback Calculated Property |
| Cp,gas | 173.70 | J/mol×K | 493.30 | Joback Calculated Property |
| Cp,gas | 180.76 | J/mol×K | 528.54 | Joback Calculated Property |
| Cp,gas | 187.39 | J/mol×K | 563.79 | Joback Calculated Property |
| Cp,gas | 193.62 | J/mol×K | 599.04 | Joback Calculated Property |
| Cp,gas | 199.46 | J/mol×K | 634.29 | Joback Calculated Property |
| η | [0.0004216; 0.0043966] | Pa×s | [239.44; 422.80] |
|
| η | 0.0043966 | Pa×s | 239.44 | Joback Calculated Property |
| η | 0.0023844 | Pa×s | 270.00 | Joback Calculated Property |
| η | 0.0014644 | Pa×s | 300.56 | Joback Calculated Property |
| η | 0.0009841 | Pa×s | 331.12 | Joback Calculated Property |
| η | 0.0007073 | Pa×s | 361.68 | Joback Calculated Property |
| η | 0.0005352 | Pa×s | 392.24 | Joback Calculated Property |
| η | 0.0004216 | Pa×s | 422.80 | Joback Calculated Property |
| ΔvapH | 44.70 | kJ/mol | 400.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [343.28; 473.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43406e+01 | |||
| Coefficient B | -3.27841e+03 | |||
| Coefficient C | -1.09992e+02 | |||
| Temperature range, min. | 343.28 | |||
| Temperature range, max. | 473.09 | |||
| Pvap | 1.33 | kPa | 343.28 | Calculated Property |
| Pvap | 3.02 | kPa | 357.70 | Calculated Property |
| Pvap | 6.26 | kPa | 372.13 | Calculated Property |
| Pvap | 12.02 | kPa | 386.55 | Calculated Property |
| Pvap | 21.62 | kPa | 400.97 | Calculated Property |
| Pvap | 36.82 | kPa | 415.40 | Calculated Property |
| Pvap | 59.74 | kPa | 429.82 | Calculated Property |
| Pvap | 92.98 | kPa | 444.24 | Calculated Property |
| Pvap | 139.50 | kPa | 458.67 | Calculated Property |
| Pvap | 202.66 | kPa | 473.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,3-dibromo-.
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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