- 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).
- 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).
- 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 | |
| ΔfH°gas | -51.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | 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 | 681.66 | K | Relay (1.0) Calculated Property |
| Tfus | 238.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.40 | kJ/mol | 425.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.67; 253.98] | 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 | 2.04610e+01 | |||
| Coefficient B | 5.10220e-01 | |||
| Coefficient C | -4.14400e-04 | |||
| Coefficient D | 1.37700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 175.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 192.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 206.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 218.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 238.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 246.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 253.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041502; 0.0003409] | Pa×s | [284.24; 506.95] |
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 | -1.11737e+01 | |||
| Coefficient B | 1.61706e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 284.24 | |||
| Temperature range, max. | 506.95 | |||
| η | 0.0041502 | Pa×s | 284.24 | Calculated Property |
| η | 0.0026315 | Pa×s | 308.99 | Calculated Property |
| η | 0.0017851 | Pa×s | 333.73 | Calculated Property |
| η | 0.0012776 | Pa×s | 358.48 | Calculated Property |
| η | 0.0009548 | Pa×s | 383.22 | Calculated Property |
| η | 0.0007392 | Pa×s | 407.97 | Calculated Property |
| η | 0.0005893 | Pa×s | 432.71 | Calculated Property |
| η | 0.0004814 | Pa×s | 457.46 | Calculated Property |
| η | 0.0004015 | Pa×s | 482.20 | Calculated Property |
| η | 0.0003409 | Pa×s | 506.95 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [368.98; 518.55] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 |
| Pvap | [0.13; 100.20] | kPa | [318.00; 489.40] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58080e+01 | |||
| Coefficient B | -5.16709e+03 | |||
| Coefficient C | -2.80880e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 318.00 | |||
| Temperature range, max. | 489.40 | |||
| Pvap | 0.13 | kPa | 318.00 | Calculated Property |
| Pvap | 0.40 | kPa | 337.04 | Calculated Property |
| Pvap | 1.06 | kPa | 356.09 | Calculated Property |
| Pvap | 2.51 | kPa | 375.13 | Calculated Property |
| Pvap | 5.44 | kPa | 394.18 | Calculated Property |
| Pvap | 10.93 | kPa | 413.22 | Calculated Property |
| Pvap | 20.57 | kPa | 432.27 | Calculated Property |
| Pvap | 36.57 | kPa | 451.31 | Calculated Property |
| Pvap | 61.86 | kPa | 470.36 | Calculated Property |
| Pvap | 100.20 | kPa | 489.40 | 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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