- InChI
- InChI=1S/C7H15Br/c1-3-7(2)5-4-6-8/h7H,3-6H2,1-2H3
- InChI Key
- QIXNVYCYRYRCAK-UHFFFAOYSA-N
- Formula
- C7H15Br
- SMILES
- CCC(C)CCCBr
- Molecular Weight1
- 179.10
- CAS
- ---
- 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).
- Pvap : Vapor 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 | 0.4480 | Relay (1.0) Calculated Property | |
| ΔfG° | 19.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.208 | Crippen Calculated Property | |
| McVol | 126.990 | ml/mol | McGowan Calculated Property |
| Pc | 3042.32 | kPa | Joback Calculated Property |
| Inp | 1013.00 | NIST | |
| Tboil | 440.61 | K | Relay (1.0) Calculated Property |
| Tc | 620.76 | K | Relay (1.0) Calculated Property |
| Tfus | 181.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.448 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.30; 301.90] | J/mol×K | [425.28; 611.91] | 
|
| Cp,gas | 236.30 | J/mol×K | 425.28 | Joback Calculated Property |
| Cp,gas | 248.56 | J/mol×K | 456.38 | Joback Calculated Property |
| Cp,gas | 260.26 | J/mol×K | 487.49 | Joback Calculated Property |
| Cp,gas | 271.43 | J/mol×K | 518.59 | Joback Calculated Property |
| Cp,gas | 282.08 | J/mol×K | 549.70 | Joback Calculated Property |
| Cp,gas | 292.23 | J/mol×K | 580.80 | Joback Calculated Property |
| Cp,gas | 301.90 | J/mol×K | 611.91 | Joback Calculated Property |
| η | [0.0003157; 0.0064391] | Pa×s | [213.45; 425.28] |
|
| η | 0.0064391 | Pa×s | 213.45 | Joback Calculated Property |
| η | 0.0027270 | Pa×s | 248.75 | Joback Calculated Property |
| η | 0.0014299 | Pa×s | 284.06 | Joback Calculated Property |
| η | 0.0008648 | Pa×s | 319.37 | Joback Calculated Property |
| η | 0.0005781 | Pa×s | 354.67 | Joback Calculated Property |
| η | 0.0004157 | Pa×s | 389.98 | Joback Calculated Property |
| η | 0.0003157 | Pa×s | 425.28 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [333.64; 469.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52627e+01 | |||
| Coefficient B | -4.03730e+03 | |||
| Coefficient C | -6.40400e+01 | |||
| Temperature range, min. | 333.64 | |||
| Temperature range, max. | 469.75 | |||
| Pvap | 1.33 | kPa | 333.64 | Calculated Property |
| Pvap | 2.95 | kPa | 348.76 | Calculated Property |
| Pvap | 6.04 | kPa | 363.89 | Calculated Property |
| Pvap | 11.53 | kPa | 379.01 | Calculated Property |
| Pvap | 20.74 | kPa | 394.13 | Calculated Property |
| Pvap | 35.44 | kPa | 409.26 | Calculated Property |
| Pvap | 57.89 | kPa | 424.38 | Calculated Property |
| Pvap | 90.91 | kPa | 439.50 | Calculated Property |
| Pvap | 137.86 | kPa | 454.63 | Calculated Property |
| Pvap | 202.66 | kPa | 469.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-4-methylhexane.
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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