- InChI
- InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
- InChI Key
- FTJHYGJLHCGQHQ-UHFFFAOYSA-N
- Formula
- C8H17Br
- SMILES
- CCCCCCC(C)Br
- Molecular Weight1
- 193.12
- CAS
- 60251-57-2
- 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 | 0.4783 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.740 | Crippen Calculated Property | |
| McVol | 141.080 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Tboil | 461.70 | K | NIST |
| Tc | 644.83 | K | Relay (1.0) Calculated Property |
| Tfus | 213.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.18; 348.69] | J/mol×K | [448.16; 633.14] | 
|
| Cp,gas | 277.18 | J/mol×K | 448.16 | Joback Calculated Property |
| Cp,gas | 290.54 | J/mol×K | 478.99 | Joback Calculated Property |
| Cp,gas | 303.29 | J/mol×K | 509.82 | Joback Calculated Property |
| Cp,gas | 315.46 | J/mol×K | 540.65 | Joback Calculated Property |
| Cp,gas | 327.07 | J/mol×K | 571.48 | Joback Calculated Property |
| Cp,gas | 338.14 | J/mol×K | 602.31 | Joback Calculated Property |
| Cp,gas | 348.69 | J/mol×K | 633.14 | Joback Calculated Property |
| η | [0.0002948; 0.0063866] | Pa×s | [224.72; 448.16] |
|
| η | 0.0063866 | Pa×s | 224.72 | Joback Calculated Property |
| η | 0.0026570 | Pa×s | 261.96 | Joback Calculated Property |
| η | 0.0013751 | Pa×s | 299.20 | Joback Calculated Property |
| η | 0.0008234 | Pa×s | 336.44 | Joback Calculated Property |
| η | 0.0005461 | Pa×s | 373.68 | Joback Calculated Property |
| η | 0.0003902 | Pa×s | 410.92 | Joback Calculated Property |
| η | 0.0002948 | Pa×s | 448.16 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 345.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Octane, 2-bromo-, (.+/-.)-.
Sources
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