- InChI
- InChI=1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
- InChI Key
- MMXRRNUXCHUHOE-UHFFFAOYSA-N
- Formula
- C7H15BrO
- SMILES
- OCCCCCCCBr
- Molecular Weight1
- 195.10
- CAS
- 10160-24-4
- 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).
- 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 | 0.7567 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.324 | Crippen Calculated Property | |
| McVol | 132.860 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Tboil | 525.73 | K | Relay (1.0) Calculated Property |
| Tc | 735.02 | K | Relay (1.0) Calculated Property |
| Tfus | 269.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 384.70 | K | 0.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.47; 408.21] | 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 | 1.00070e+01 | |||
| Coefficient B | 7.41000e-01 | |||
| Coefficient C | -4.58800e-04 | |||
| Coefficient D | 1.16000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 219.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 285.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 313.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 337.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 358.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 377.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 393.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 408.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0159918; 0.0002523] | Pa×s | [289.27; 485.02] |
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 | -1.44165e+01 | |||
| Coefficient B | 2.97393e+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. | 289.27 | |||
| Temperature range, max. | 485.02 | |||
| η | 0.0159918 | Pa×s | 289.27 | Calculated Property |
| η | 0.0077922 | Pa×s | 311.02 | Calculated Property |
| η | 0.0041710 | Pa×s | 332.77 | Calculated Property |
| η | 0.0024106 | Pa×s | 354.52 | Calculated Property |
| η | 0.0014844 | Pa×s | 376.27 | Calculated Property |
| η | 0.0009638 | Pa×s | 398.02 | Calculated Property |
| η | 0.0006544 | Pa×s | 419.77 | Calculated Property |
| η | 0.0004616 | Pa×s | 441.52 | Calculated Property |
| η | 0.0003365 | Pa×s | 463.27 | Calculated Property |
| η | 0.0002523 | Pa×s | 485.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptanol, 7-bromo-.
Sources
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