- InChI
- InChI=1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
- InChI Key
- BNUTXEKPXPZAIT-UHFFFAOYSA-N
- Formula
- C7H15Br
- SMILES
- CCCC(Br)CCC
- Molecular Weight1
- 179.10
- CAS
- 998-93-6
- Other Names
-
- Heptane, 4-bromo-
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 19.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 3.350 | Crippen Calculated Property | |
| McVol | 126.990 | ml/mol | McGowan Calculated Property |
| Pc | 3042.32 | kPa | Joback Calculated Property |
| Inp | [1025.00; 1039.00] |
|
|
| Inp | 1037.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1025.00 | NIST | |
| I | [1138.00; 1164.00] |
|
|
| I | 1142.00 | NIST | |
| I | 1164.00 | NIST | |
| I | 1138.00 | NIST | |
| Tboil | 425.28 | K | Joback Calculated Property |
| Tc | 611.91 | K | Joback Calculated Property |
| Tfus | 213.45 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [333.20; 357.80] | K | [2.40; 9.60] |
|
| Tboilr | 333.20 | K | 2.40 | NIST |
| Tboilr | 357.80 | K | 9.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [327.32; 472.02] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45289e+01 | |||
| Coefficient B | -3.78072e+03 | |||
| Coefficient C | -6.18440e+01 | |||
| Temperature range, min. | 327.32 | |||
| Temperature range, max. | 472.02 | |||
| Pvap | 1.33 | kPa | 327.32 | Calculated Property |
| Pvap | 3.01 | kPa | 343.40 | Calculated Property |
| Pvap | 6.21 | kPa | 359.48 | Calculated Property |
| Pvap | 11.91 | kPa | 375.55 | Calculated Property |
| Pvap | 21.43 | kPa | 391.63 | Calculated Property |
| Pvap | 36.51 | kPa | 407.71 | Calculated Property |
| Pvap | 59.34 | kPa | 423.79 | Calculated Property |
| Pvap | 92.53 | kPa | 439.86 | Calculated Property |
| Pvap | 139.15 | kPa | 455.94 | Calculated Property |
| Pvap | 202.67 | kPa | 472.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromoheptane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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