- InChI
- InChI=1S/C7H14Br2/c1-3-7(4-2,5-8)6-9/h3-6H2,1-2H3
- InChI Key
- ZIQNZEFIQWBNHV-UHFFFAOYSA-N
- Formula
- C7H14Br2
- SMILES
- CCC(CC)(CBr)CBr
- Molecular Weight1
- 257.99
- CAS
- 67969-84-0
- Other Names
-
- 1,3-Dibromo-2,2-diethylpropane
- 3,3-bis(bromomethyl)pentane
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4490 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -163.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.583 | Crippen Calculated Property | |
| McVol | 144.490 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Tboil | 500.48 | K | Relay (1.0) Calculated Property |
| Tc | 691.62 | K | Relay (1.0) Calculated Property |
| Tfus | [312.90; 313.15] | K |
|
| Tfus | 313.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 312.90 ± 2.00 | K | NIST |
Cheméo can also estimate Critical Volume, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.49; 400.07] | 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 | -1.15660e+01 | |||
| Coefficient B | 8.71040e-01 | |||
| Coefficient C | -6.71600e-04 | |||
| Coefficient D | 2.12200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 313.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 336.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 355.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 371.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 400.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025627; 0.0003273] | Pa×s | [313.02; 490.60] |
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 | -1.16521e+01 | |||
| Coefficient B | 1.77966e+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. | 313.02 | |||
| Temperature range, max. | 490.60 | |||
| η | 0.0025627 | Pa×s | 313.02 | Calculated Property |
| η | 0.0018293 | Pa×s | 332.76 | Calculated Property |
| η | 0.0013561 | Pa×s | 352.49 | Calculated Property |
| η | 0.0010376 | Pa×s | 372.22 | Calculated Property |
| η | 0.0008157 | Pa×s | 391.95 | Calculated Property |
| η | 0.0006562 | Pa×s | 411.68 | Calculated Property |
| η | 0.0005385 | Pa×s | 431.41 | Calculated Property |
| η | 0.0004496 | Pa×s | 451.14 | Calculated Property |
| η | 0.0003811 | Pa×s | 470.87 | Calculated Property |
| η | 0.0003273 | Pa×s | 490.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 3,3-bis(bromomethyl)-.
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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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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