- InChI
- InChI=1S/C10H21Br/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3
- InChI Key
- VGSUDZKDSKCYJP-UHFFFAOYSA-N
- Formula
- C10H21Br
- SMILES
- CC(C)CCCC(C)CCBr
- Molecular Weight1
- 221.18
- CAS
- 3383-83-3
- 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).
- 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 | 0.5345 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -272.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.54 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.234 | Crippen Calculated Property | |
| McVol | 169.260 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Tboil | 490.71 | K | Relay (1.0) Calculated Property |
| Tc | 669.91 | K | Relay (1.0) Calculated Property |
| Tfus | 198.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.98; 545.38] | 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 | -1.37500e+00 | |||
| Coefficient B | 1.00386e+00 | |||
| Coefficient C | -5.98000e-04 | |||
| Coefficient D | 1.40900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 230.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 285.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 333.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 376.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 414.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 447.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 477.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 502.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 525.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 545.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0093112; 0.0002674] | Pa×s | [232.26; 475.32] |
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 | -1.16190e+01 | |||
| Coefficient B | 1.61246e+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. | 232.26 | |||
| Temperature range, max. | 475.32 | |||
| η | 0.0093112 | Pa×s | 232.26 | Calculated Property |
| η | 0.0045180 | Pa×s | 259.27 | Calculated Property |
| η | 0.0025127 | Pa×s | 286.27 | Calculated Property |
| η | 0.0015462 | Pa×s | 313.28 | Calculated Property |
| η | 0.0010277 | Pa×s | 340.28 | Calculated Property |
| η | 0.0007253 | Pa×s | 367.29 | Calculated Property |
| η | 0.0005370 | Pa×s | 394.30 | Calculated Property |
| η | 0.0004132 | Pa×s | 421.30 | Calculated Property |
| η | 0.0003281 | Pa×s | 448.31 | Calculated Property |
| η | 0.0002674 | Pa×s | 475.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-3,7-dimethyloctane.
Sources
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