- InChI
- InChI=1S/C4H7Br3/c1-2-3(5)4(6)7/h3-4H,2H2,1H3
- InChI Key
- WMGQSHQUFZATPG-UHFFFAOYSA-N
- Formula
- C4H7Br3
- SMILES
- CCC(Br)C(Br)Br
- Molecular Weight1
- 294.81
- CAS
- 3675-68-1
- Other Names
-
- 1,1,2-Tribromobutane
- 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).
- 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).
- 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 | 0.4833 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -51.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.276 | Crippen Calculated Property | |
| McVol | 119.720 | ml/mol | McGowan Calculated Property |
| Pc | 5258.62 | kPa | Joback Calculated Property |
| Tboil | 489.40 | K | NIST |
| Tc | 678.12 | K | Relay (1.0) Calculated Property |
| Tfus | 243.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.87; 224.89] | J/mol×K | [488.52; 723.92] | 
|
| Cp,gas | 186.87 | J/mol×K | 488.52 | Joback Calculated Property |
| Cp,gas | 194.55 | J/mol×K | 527.75 | Joback Calculated Property |
| Cp,gas | 201.63 | J/mol×K | 566.99 | Joback Calculated Property |
| Cp,gas | 208.15 | J/mol×K | 606.22 | Joback Calculated Property |
| Cp,gas | 214.17 | J/mol×K | 645.45 | Joback Calculated Property |
| Cp,gas | 219.73 | J/mol×K | 684.68 | Joback Calculated Property |
| Cp,gas | 224.89 | J/mol×K | 723.92 | Joback Calculated Property |
| η | [0.0003845; 0.0041502] | Pa×s | [284.24; 488.52] |
|
| η | 0.0041502 | Pa×s | 284.24 | Joback Calculated Property |
| η | 0.0022583 | Pa×s | 318.29 | Joback Calculated Property |
| η | 0.0013822 | Pa×s | 352.33 | Joback Calculated Property |
| η | 0.0009224 | Pa×s | 386.38 | Joback Calculated Property |
| η | 0.0006573 | Pa×s | 420.43 | Joback Calculated Property |
| η | 0.0004927 | Pa×s | 454.47 | Joback Calculated Property |
| η | 0.0003845 | Pa×s | 488.52 | Joback Calculated Property |
| ΔvapH | 49.40 | kJ/mol | 425.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [368.98; 518.55] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51122e+01 | |||
| Coefficient B | -4.32567e+03 | |||
| Coefficient C | -7.71890e+01 | |||
| Temperature range, min. | 368.98 | |||
| Temperature range, max. | 518.55 | |||
| Pvap | 1.33 | kPa | 368.98 | Calculated Property |
| Pvap | 2.96 | kPa | 385.60 | Calculated Property |
| Pvap | 6.07 | kPa | 402.22 | Calculated Property |
| Pvap | 11.60 | kPa | 418.84 | Calculated Property |
| Pvap | 20.87 | kPa | 435.46 | Calculated Property |
| Pvap | 35.64 | kPa | 452.07 | Calculated Property |
| Pvap | 58.17 | kPa | 468.69 | Calculated Property |
| Pvap | 91.22 | kPa | 485.31 | Calculated Property |
| Pvap | 138.09 | kPa | 501.93 | Calculated Property |
| Pvap | 202.64 | kPa | 518.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,1,2-tribromo-.
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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