- InChI
- InChI=1S/C11H24/c1-5-8-9-10(4)11(6-2)7-3/h10-11H,5-9H2,1-4H3
- InChI Key
- LXRSBMFQRZTMNK-UHFFFAOYSA-N
- Formula
- C11H24
- SMILES
- CCCCC(C)C(CC)CC
- Molecular Weight1
- 156.31
- 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 | 0.4313 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.249 | Crippen Calculated Property | |
| McVol | 165.850 | ml/mol | McGowan Calculated Property |
| Pc | 1961.34 | kPa | Joback Calculated Property |
| Inp | 1031.00 | NIST | |
| Tboil | 451.23 | K | Relay (1.0) Calculated Property |
| Tc | 627.76 | K | Relay (1.0) Calculated Property |
| Tfus | 175.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.20; 587.91] | 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 | -1.04750e+01 | |||
| Coefficient B | 1.06068e+00 | |||
| Coefficient C | -5.81000e-04 | |||
| Coefficient D | 1.18700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 297.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 350.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 398.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 440.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 478.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 511.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 540.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 565.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 587.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0200727; 0.0002326] | Pa×s | [183.73; 433.36] |
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 | -1.16471e+01 | |||
| Coefficient B | 1.42184e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 183.73 | |||
| Temperature range, max. | 433.36 | |||
| η | 0.0200727 | Pa×s | 183.73 | Calculated Property |
| η | 0.0072741 | Pa×s | 211.47 | Calculated Property |
| η | 0.0033357 | Pa×s | 239.20 | Calculated Property |
| η | 0.0017987 | Pa×s | 266.94 | Calculated Property |
| η | 0.0010895 | Pa×s | 294.68 | Calculated Property |
| η | 0.0007194 | Pa×s | 322.41 | Calculated Property |
| η | 0.0005073 | Pa×s | 350.15 | Calculated Property |
| η | 0.0003765 | Pa×s | 377.89 | Calculated Property |
| η | 0.0002911 | Pa×s | 405.62 | Calculated Property |
| η | 0.0002326 | Pa×s | 433.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 3-ethyl-4-methyl.
Sources
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