- InChI
- InChI=1S/C7H14Br2/c1-4-6(2)7(3,9)5-8/h6H,4-5H2,1-3H3
- InChI Key
- OTWXHGYTYFOXAN-UHFFFAOYSA-N
- Formula
- C7H14Br2
- SMILES
- CCC(C)C(C)(Br)CBr
- Molecular Weight1
- 258.00
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4328 | Relay (1.0) Calculated Property | |
| ΔfG° | 37.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 144.490 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [1054.00; 1054.00] |
|
|
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Tboil | 476.38 | K | Relay (1.0) Calculated Property |
| Tc | 693.00 | K | Relay (1.0) Calculated Property |
| Tfus | 212.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.18; 400.61] | 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 | -1.32480e+01 | |||
| Coefficient B | 8.76960e-01 | |||
| Coefficient C | -6.74800e-04 | |||
| Coefficient D | 2.11700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 336.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 355.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 372.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 387.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 400.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055548; 0.0003020] | Pa×s | [275.67; 493.76] |
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 | -1.17861e+01 | |||
| Coefficient B | 1.81748e+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. | 275.67 | |||
| Temperature range, max. | 493.76 | |||
| η | 0.0055548 | Pa×s | 275.67 | Calculated Property |
| η | 0.0032607 | Pa×s | 299.90 | Calculated Property |
| η | 0.0020727 | Pa×s | 324.14 | Calculated Property |
| η | 0.0014033 | Pa×s | 348.37 | Calculated Property |
| η | 0.0009995 | Pa×s | 372.60 | Calculated Property |
| η | 0.0007420 | Pa×s | 396.83 | Calculated Property |
| η | 0.0005701 | Pa×s | 421.07 | Calculated Property |
| η | 0.0004508 | Pa×s | 445.30 | Calculated Property |
| η | 0.0003651 | Pa×s | 469.53 | Calculated Property |
| η | 0.0003020 | Pa×s | 493.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethyl-1,2-dibromopentane.
Sources
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