- InChI
- InChI=1S/C11H24/c1-6-11(4,5)9-7-8-10(2)3/h10H,6-9H2,1-5H3
- InChI Key
- RUPXAIGHLDMSOL-UHFFFAOYSA-N
- Formula
- C11H24
- SMILES
- CCC(C)(C)CCCC(C)C
- 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).
- 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 | 0.4192 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.249 | Crippen Calculated Property | |
| McVol | 165.850 | ml/mol | McGowan Calculated Property |
| Pc | 1980.59 | kPa | Joback Calculated Property |
| Tboil | 446.55 | K | Relay (1.0) Calculated Property |
| Tc | 621.45 | K | Relay (1.0) Calculated Property |
| Tfus | 187.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.06; 588.83] | 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 | -3.32660e+01 | |||
| Coefficient B | 1.18060e+00 | |||
| Coefficient C | -7.49600e-04 | |||
| Coefficient D | 1.91100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 299.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 353.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 402.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 444.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 481.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 514.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 542.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 567.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 588.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0188587; 0.0002433] | Pa×s | [201.15; 435.99] |
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 | -1.20471e+01 | |||
| Coefficient B | 1.62456e+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. | 201.15 | |||
| Temperature range, max. | 435.99 | |||
| η | 0.0188587 | Pa×s | 201.15 | Calculated Property |
| η | 0.0074603 | Pa×s | 227.24 | Calculated Property |
| η | 0.0035724 | Pa×s | 253.34 | Calculated Property |
| η | 0.0019629 | Pa×s | 279.43 | Calculated Property |
| η | 0.0011947 | Pa×s | 305.53 | Calculated Property |
| η | 0.0007862 | Pa×s | 331.62 | Calculated Property |
| η | 0.0005500 | Pa×s | 357.71 | Calculated Property |
| η | 0.0004039 | Pa×s | 383.81 | Calculated Property |
| η | 0.0003085 | Pa×s | 409.90 | Calculated Property |
| η | 0.0002433 | Pa×s | 435.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 2,6,6-trimethyl-.
Sources
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