- InChI
- InChI=1S/C9H17BrO2/c1-9(11)12-8-6-4-2-3-5-7-10/h2-8H2,1H3
- InChI Key
- YAFBPBCITSMEMS-UHFFFAOYSA-N
- Formula
- C9H17BrO2
- SMILES
- CC(=O)OCCCCCCCBr
- Molecular Weight1
- 237.13
- 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.
- 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 | 0.6746 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.895 | Crippen Calculated Property | |
| McVol | 162.610 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Inp | [1477.00; 1477.00] |
|
|
| Inp | 1477.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Tboil | 529.76 | K | Relay (1.0) Calculated Property |
| Tc | 701.63 | K | Relay (1.0) Calculated Property |
| Tfus | 259.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.608 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.73; 500.83] | 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 | 2.83070e+01 | |||
| Coefficient B | 8.42220e-01 | |||
| Coefficient C | -4.42600e-04 | |||
| Coefficient D | 7.29000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 354.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 388.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 418.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 444.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 466.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 485.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 500.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036893; 0.0002782] | Pa×s | [293.32; 500.35] |
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 | -1.18494e+01 | |||
| Coefficient B | 1.83238e+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. | 293.32 | |||
| Temperature range, max. | 500.35 | |||
| η | 0.0036893 | Pa×s | 293.32 | Calculated Property |
| η | 0.0023423 | Pa×s | 316.32 | Calculated Property |
| η | 0.0015816 | Pa×s | 339.33 | Calculated Property |
| η | 0.0011226 | Pa×s | 362.33 | Calculated Property |
| η | 0.0008300 | Pa×s | 385.33 | Calculated Property |
| η | 0.0006350 | Pa×s | 408.33 | Calculated Property |
| η | 0.0004998 | Pa×s | 431.34 | Calculated Property |
| η | 0.0004031 | Pa×s | 454.34 | Calculated Property |
| η | 0.0003319 | Pa×s | 477.34 | Calculated Property |
| η | 0.0002782 | Pa×s | 500.35 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Bromo-1-heptanol, acetate.
Sources
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