- InChI
- InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2
- InChI Key
- LVWSZGCVEZRFBT-UHFFFAOYSA-N
- Formula
- C7H14Br2
- SMILES
- BrCCCCCCCBr
- Molecular Weight1
- 258.00
- CAS
- 4549-31-9
- Other Names
-
- Dibromo-1,7 heptane
- Heptamethylene dibromide
- Heptane, 1,7-dibromo-
- 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.
- Ip : 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 | 0.6181 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.727 | Crippen Calculated Property | |
| McVol | 144.490 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [1397.00; 1420.00] |
|
|
| Inp | 1420.00 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Ip | 1863.00 | NIST | |
| Tboil | [528.00; 536.20] | K |
|
| Tboil | 528.20 | K | NIST |
| Tboil | 528.00 | K | NIST |
| Tboil | 536.20 | K | NIST |
| Tc | 703.59 | K | Relay (1.0) Calculated Property |
| Tfus | 314.85 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.95; 398.61] | 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 | 1.29070e+01 | |||
| Coefficient B | 7.45200e-01 | |||
| Coefficient C | -4.99800e-04 | |||
| Coefficient D | 1.40300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 253.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 283.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 309.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 331.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 351.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 369.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 384.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 398.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019702; 0.0003575] | Pa×s | [314.85; 483.73] |
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 | -1.11181e+01 | |||
| Coefficient B | 1.53912e+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. | 314.85 | |||
| Temperature range, max. | 483.73 | |||
| η | 0.0019702 | Pa×s | 314.85 | Calculated Property |
| η | 0.0014966 | Pa×s | 333.61 | Calculated Property |
| η | 0.0011706 | Pa×s | 352.38 | Calculated Property |
| η | 0.0009387 | Pa×s | 371.14 | Calculated Property |
| η | 0.0007688 | Pa×s | 389.91 | Calculated Property |
| η | 0.0006414 | Pa×s | 408.67 | Calculated Property |
| η | 0.0005436 | Pa×s | 427.43 | Calculated Property |
| η | 0.0004673 | Pa×s | 446.20 | Calculated Property |
| η | 0.0004065 | Pa×s | 464.96 | Calculated Property |
| η | 0.0003575 | Pa×s | 483.73 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [384.92; 564.74] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37785e+01 | |||
| Coefficient B | -4.08857e+03 | |||
| Coefficient C | -8.18600e+01 | |||
| Temperature range, min. | 384.92 | |||
| Temperature range, max. | 564.74 | |||
| Pvap | 1.33 | kPa | 384.92 | Calculated Property |
| Pvap | 3.07 | kPa | 404.90 | Calculated Property |
| Pvap | 6.42 | kPa | 424.88 | Calculated Property |
| Pvap | 12.37 | kPa | 444.86 | Calculated Property |
| Pvap | 22.26 | kPa | 464.84 | Calculated Property |
| Pvap | 37.80 | kPa | 484.82 | Calculated Property |
| Pvap | 61.04 | kPa | 504.80 | Calculated Property |
| Pvap | 94.41 | kPa | 524.78 | Calculated Property |
| Pvap | 140.62 | kPa | 544.76 | Calculated Property |
| Pvap | 202.65 | kPa | 564.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-DIBROMOHEPTANE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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