- InChI
- InChI=1S/C8H17/c1-3-5-7-8-6-4-2/h1,3-8H2,2H3
- InChI Key
- AUNGTSCVKGQIAH-UHFFFAOYSA-N
- Formula
- C8H17
- SMILES
- [CH2]CCCCCCC
- Molecular Weight1
- 113.22
- 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).
- 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 | 0.4577 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.181 | Crippen Calculated Property | |
| McVol | 121.430 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Tboil | 413.42 | K | Relay (1.0) Calculated Property |
| Tc | 579.78 | K | Relay (1.0) Calculated Property |
| Tfus | 203.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.490 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.68; 415.93] | 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 | -2.47930e+01 | |||
| Coefficient B | 8.66920e-01 | |||
| Coefficient C | -6.18800e-04 | |||
| Coefficient D | 1.92600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 169.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 212.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 250.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 283.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 312.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 338.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 360.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 398.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 415.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015352; 0.0003423] | Pa×s | [196.29; 379.85] |
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 | -9.58463e+00 | |||
| Coefficient B | 6.09590e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 196.29 | |||
| Temperature range, max. | 379.85 | |||
| η | 0.0015352 | Pa×s | 196.29 | Calculated Property |
| η | 0.0011461 | Pa×s | 216.69 | Calculated Property |
| η | 0.0008997 | Pa×s | 237.08 | Calculated Property |
| η | 0.0007339 | Pa×s | 257.48 | Calculated Property |
| η | 0.0006169 | Pa×s | 277.87 | Calculated Property |
| η | 0.0005309 | Pa×s | 298.27 | Calculated Property |
| η | 0.0004658 | Pa×s | 318.67 | Calculated Property |
| η | 0.0004152 | Pa×s | 339.06 | Calculated Property |
| η | 0.0003749 | Pa×s | 359.46 | Calculated Property |
| η | 0.0003423 | Pa×s | 379.85 | Calculated Property |
Similar Compounds
Find more compounds similar to octyl.
Sources
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