- InChI
- InChI=1S/C4H7Br3/c1-2-4(6,7)3-5/h2-3H2,1H3
- InChI Key
- LMTXANJNYFUPOZ-UHFFFAOYSA-N
- Formula
- C4H7Br3
- SMILES
- CCC(Br)(Br)CBr
- Molecular Weight1
- 294.81
- CAS
- 3675-69-2
- Other Names
-
- 1,2,2-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 | 0.4877 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.277 | Crippen Calculated Property | |
| McVol | 119.720 | ml/mol | McGowan Calculated Property |
| Pc | 5281.57 | kPa | Joback Calculated Property |
| Tboil | 487.00 | K | NIST |
| Tc | 673.78 | K | Relay (1.0) Calculated Property |
| Tfus | 180.53 | 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 | [189.99; 227.56] | J/mol×K | [486.17; 726.33] | 
|
| Cp,gas | 189.99 | J/mol×K | 486.17 | Joback Calculated Property |
| Cp,gas | 197.96 | J/mol×K | 526.20 | Joback Calculated Property |
| Cp,gas | 205.14 | J/mol×K | 566.22 | Joback Calculated Property |
| Cp,gas | 211.61 | J/mol×K | 606.25 | Joback Calculated Property |
| Cp,gas | 217.45 | J/mol×K | 646.28 | Joback Calculated Property |
| Cp,gas | 222.74 | J/mol×K | 686.30 | Joback Calculated Property |
| Cp,gas | 227.56 | J/mol×K | 726.33 | Joback Calculated Property |
| η | [0.0004204; 0.0029905] | Pa×s | [316.66; 486.17] |
|
| η | 0.0029905 | Pa×s | 316.66 | Joback Calculated Property |
| η | 0.0018861 | Pa×s | 344.91 | Joback Calculated Property |
| η | 0.0012755 | Pa×s | 373.16 | Joback Calculated Property |
| η | 0.0009115 | Pa×s | 401.41 | Joback Calculated Property |
| η | 0.0006807 | Pa×s | 429.67 | Joback Calculated Property |
| η | 0.0005270 | Pa×s | 457.92 | Joback Calculated Property |
| η | 0.0004204 | Pa×s | 486.17 | Joback Calculated Property |
| ΔvapH | [48.40; 50.70] | kJ/mol | [400.00; 421.50] |
|
| ΔvapH | 50.70 | kJ/mol | 400.00 | NIST |
| ΔvapH | 48.40 | kJ/mol | 421.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [367.06; 516.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51089e+01 | |||
| Coefficient B | -4.30616e+03 | |||
| Coefficient C | -7.65220e+01 | |||
| Temperature range, min. | 367.06 | |||
| Temperature range, max. | 516.04 | |||
| Pvap | 1.33 | kPa | 367.06 | Calculated Property |
| Pvap | 2.96 | kPa | 383.61 | Calculated Property |
| Pvap | 6.07 | kPa | 400.17 | Calculated Property |
| Pvap | 11.60 | kPa | 416.72 | Calculated Property |
| Pvap | 20.87 | kPa | 433.27 | Calculated Property |
| Pvap | 35.65 | kPa | 449.83 | Calculated Property |
| Pvap | 58.18 | kPa | 466.38 | Calculated Property |
| Pvap | 91.23 | kPa | 482.93 | Calculated Property |
| Pvap | 138.11 | kPa | 499.49 | Calculated Property |
| Pvap | 202.65 | kPa | 516.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,2,2-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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