- InChI
- InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
- InChI Key
- GNYDYUQVALBGGZ-UHFFFAOYSA-N
- Formula
- C7H13Br
- SMILES
- C=CCCCCCBr
- Molecular Weight1
- 177.08
- Other Names
-
- bromo-7 heptene-1
- 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).
- 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 | 0.4492 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.128 | Crippen Calculated Property | |
| McVol | 122.690 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Inp | 1008.00 | NIST | |
| Ip | 1358.00 | NIST | |
| Tboil | 445.22 | K | Relay (1.0) Calculated Property |
| Tc | 635.65 | K | Relay (1.0) Calculated Property |
| Tfus | 203.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.448 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.16; 361.03] | 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 | 1.72500e+00 | |||
| Coefficient B | 6.87000e-01 | |||
| Coefficient C | -4.51300e-04 | |||
| Coefficient D | 1.23600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 225.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 277.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 298.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 316.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 333.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 347.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 361.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037219; 0.0003192] | Pa×s | [226.69; 426.28] |
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 | -1.08394e+01 | |||
| Coefficient B | 1.18918e+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. | 226.69 | |||
| Temperature range, max. | 426.28 | |||
| η | 0.0037219 | Pa×s | 226.69 | Calculated Property |
| η | 0.0023321 | Pa×s | 248.87 | Calculated Property |
| η | 0.0015774 | Pa×s | 271.04 | Calculated Property |
| η | 0.0011320 | Pa×s | 293.22 | Calculated Property |
| η | 0.0008511 | Pa×s | 315.40 | Calculated Property |
| η | 0.0006644 | Pa×s | 337.57 | Calculated Property |
| η | 0.0005347 | Pa×s | 359.75 | Calculated Property |
| η | 0.0004413 | Pa×s | 381.93 | Calculated Property |
| η | 0.0003720 | Pa×s | 404.10 | Calculated Property |
| η | 0.0003192 | Pa×s | 426.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptene, 7-bromo.
Sources
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