- 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° | 81.32 | 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 | 727.56 | K | Relay (1.0) Calculated Property |
| Tfus | 275.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.83; 341.68] | J/mol×K | [517.90; 692.62] | 
|
| Cp,gas | 286.83 | J/mol×K | 517.90 | Joback Calculated Property |
| Cp,gas | 297.05 | J/mol×K | 547.02 | Joback Calculated Property |
| Cp,gas | 306.82 | J/mol×K | 576.14 | Joback Calculated Property |
| Cp,gas | 316.15 | J/mol×K | 605.26 | Joback Calculated Property |
| Cp,gas | 325.06 | J/mol×K | 634.38 | Joback Calculated Property |
| Cp,gas | 333.56 | J/mol×K | 663.50 | Joback Calculated Property |
| Cp,gas | 341.68 | J/mol×K | 692.62 | Joback Calculated Property |
| η | [0.0001709; 0.0159918] | Pa×s | [289.27; 517.90] |
|
| η | 0.0159918 | Pa×s | 289.27 | Joback Calculated Property |
| η | 0.0048329 | Pa×s | 327.38 | Joback Calculated Property |
| η | 0.0018745 | Pa×s | 365.48 | Joback Calculated Property |
| η | 0.0008694 | Pa×s | 403.58 | Joback Calculated Property |
| η | 0.0004604 | Pa×s | 441.69 | Joback Calculated Property |
| η | 0.0002697 | Pa×s | 479.79 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 517.90 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 384.70 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Heptanol, 7-bromo-.
Sources
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