- InChI
- InChI=1S/C4H8Br2/c1-3(2)4(5)6/h3-4H,1-2H3
- InChI Key
- FGOANQWFWXSPKL-UHFFFAOYSA-N
- Formula
- C4H8Br2
- SMILES
- CC(C)C(Br)Br
- Molecular Weight1
- 215.91
- CAS
- 33693-78-6
- 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).
- 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).
- 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 | 0.4148 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.758 | Crippen Calculated Property | |
| McVol | 102.220 | ml/mol | McGowan Calculated Property |
| Pc | 4769.39 | kPa | Joback Calculated Property |
| Tboil | 420.22 | K | Relay (1.0) Calculated Property |
| Tc | 616.96 | K | Relay (1.0) Calculated Property |
| Tfus | 283.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.370 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [117.68; 244.91] | 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 | 1.22700e+01 | |||
| Coefficient B | 4.72040e-01 | |||
| Coefficient C | -3.43000e-04 | |||
| Coefficient D | 1.03600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 117.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 178.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 193.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 206.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 218.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 227.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 236.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 244.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018919; 0.0003387] | Pa×s | [283.65; 447.59] |
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 | -1.09671e+01 | |||
| Coefficient B | 1.33228e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 283.65 | |||
| Temperature range, max. | 447.59 | |||
| η | 0.0018919 | Pa×s | 283.65 | Calculated Property |
| η | 0.0014250 | Pa×s | 301.87 | Calculated Property |
| η | 0.0011085 | Pa×s | 320.08 | Calculated Property |
| η | 0.0008859 | Pa×s | 338.30 | Calculated Property |
| η | 0.0007244 | Pa×s | 356.51 | Calculated Property |
| η | 0.0006041 | Pa×s | 374.73 | Calculated Property |
| η | 0.0005123 | Pa×s | 392.94 | Calculated Property |
| η | 0.0004409 | Pa×s | 411.16 | Calculated Property |
| η | 0.0003842 | Pa×s | 429.37 | Calculated Property |
| η | 0.0003387 | Pa×s | 447.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1-dibromo-2-methyl.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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