- InChI
- InChI=1S/C11H24/c1-6-10(4)7-8-11(5)9(2)3/h9-11H,6-8H2,1-5H3
- InChI Key
- MNFBUNLEXRMWOY-UHFFFAOYSA-N
- Formula
- C11H24
- SMILES
- CCC(C)CCC(C)C(C)C
- Molecular Weight1
- 156.31
- Other Names
-
- 2,3,6-Trimethyl-octane
- 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 | 0.4236 | Relay (1.0) Calculated Property | |
| ΔfG° | 34.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.105 | Crippen Calculated Property | |
| McVol | 165.850 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Tboil | 448.36 | K | Relay (1.0) Calculated Property |
| Tc | 623.63 | K | Relay (1.0) Calculated Property |
| Tfus | 189.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.609 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.89; 588.44] | 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 | -1.21570e+01 | |||
| Coefficient B | 1.06660e+00 | |||
| Coefficient C | -5.84200e-04 | |||
| Coefficient D | 1.18200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 297.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 350.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 398.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 441.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 478.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 512.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 541.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 566.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 588.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0437057; 0.0002182] | Pa×s | [168.73; 435.58] |
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 | -1.17811e+01 | |||
| Coefficient B | 1.45966e+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. | 168.73 | |||
| Temperature range, max. | 435.58 | |||
| η | 0.0437057 | Pa×s | 168.73 | Calculated Property |
| η | 0.0119953 | Pa×s | 198.38 | Calculated Property |
| η | 0.0046080 | Pa×s | 228.03 | Calculated Property |
| η | 0.0022061 | Pa×s | 257.68 | Calculated Property |
| η | 0.0012296 | Pa×s | 287.33 | Calculated Property |
| η | 0.0007645 | Pa×s | 316.98 | Calculated Property |
| η | 0.0005156 | Pa×s | 346.63 | Calculated Property |
| η | 0.0003700 | Pa×s | 376.28 | Calculated Property |
| η | 0.0002787 | Pa×s | 405.93 | Calculated Property |
| η | 0.0002182 | Pa×s | 435.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 2,3,6-trimethyl-.
Sources
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