- InChI
- InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
- InChI Key
- HLAUCEOFCOXKNF-UHFFFAOYSA-N
- Formula
- C7H15Br
- SMILES
- CCCCCC(C)Br
- Molecular Weight1
- 179.10
- CAS
- 1974-04-5
- Other Names
-
- 2-Bromoheptane
- 2-Heptyl bromide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 |
|---|---|---|---|
| ω | 0.4356 | Relay (1.0) Calculated Property | |
| ΔfG° | 19.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) 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 | [986.00; 1047.00] |
|
|
| Inp | 1037.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 986.00 | NIST | |
| I | [1164.00; 1185.00] |
|
|
| I | 1175.00 | NIST | |
| I | 1185.00 | NIST | |
| I | 1164.00 | NIST | |
| I | 1173.00 | NIST | |
| I | 1173.00 | NIST | |
| Tboil | 439.00 ± 3.00 | K | NIST |
| Tc | 630.04 | K | Relay (1.0) Calculated Property |
| Tfus | 194.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.481 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 45.00 | kJ/mol | 386.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 338.20 | K | 2.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.65; 390.07] | 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 | 3.03400e+00 | |||
| Coefficient B | 7.12940e-01 | |||
| Coefficient C | -4.31600e-04 | |||
| Coefficient D | 1.05700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 270.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 297.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 320.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 341.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 359.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 375.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 390.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0064391; 0.0003085] | Pa×s | [213.45; 428.54] |
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 | -1.10991e+01 | |||
| Coefficient B | 1.29216e+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. | 213.45 | |||
| Temperature range, max. | 428.54 | |||
| η | 0.0064391 | Pa×s | 213.45 | Calculated Property |
| η | 0.0035003 | Pa×s | 237.35 | Calculated Property |
| η | 0.0021272 | Pa×s | 261.25 | Calculated Property |
| η | 0.0014053 | Pa×s | 285.15 | Calculated Property |
| η | 0.0009899 | Pa×s | 309.04 | Calculated Property |
| η | 0.0007332 | Pa×s | 332.94 | Calculated Property |
| η | 0.0005654 | Pa×s | 356.84 | Calculated Property |
| η | 0.0004505 | Pa×s | 380.74 | Calculated Property |
| η | 0.0003686 | Pa×s | 404.64 | Calculated Property |
| η | 0.0003085 | Pa×s | 428.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.69; 202.66] | kPa | [320.15; 464.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54004e+01 | |||
| Coefficient B | -4.05153e+03 | |||
| Coefficient C | -6.32340e+01 | |||
| Temperature range, min. | 320.15 | |||
| Temperature range, max. | 464.82 | |||
| Pvap | 0.69 | kPa | 320.15 | Calculated Property |
| Pvap | 1.75 | kPa | 336.22 | Calculated Property |
| Pvap | 3.99 | kPa | 352.30 | Calculated Property |
| Pvap | 8.35 | kPa | 368.37 | Calculated Property |
| Pvap | 16.24 | kPa | 384.45 | Calculated Property |
| Pvap | 29.62 | kPa | 400.52 | Calculated Property |
| Pvap | 51.15 | kPa | 416.60 | Calculated Property |
| Pvap | 84.23 | kPa | 432.67 | Calculated Property |
| Pvap | 133.07 | kPa | 448.75 | Calculated Property |
| Pvap | 202.66 | kPa | 464.82 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2-bromo-.
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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