- InChI
- InChI=1S/C11H24/c1-6-10(2)8-7-9-11(3,4)5/h10H,6-9H2,1-5H3
- InChI Key
- NBIHFQKVSFKHGH-UHFFFAOYSA-N
- Formula
- C11H24
- SMILES
- CCC(C)CCCC(C)(C)C
- Molecular Weight1
- 156.31
- CAS
- 62016-28-8
- Other Names
-
- 2,2,6-Trimethyloctane
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 42.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen 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 | 447.41 | K | Joback Calculated Property |
| Tc | 622.57 | K | Joback Calculated Property |
| Tfus | 201.15 | K | Joback Calculated Property |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.01; 457.31] | J/mol×K | [447.41; 622.57] | 
|
| Cp,gas | 362.01 | J/mol×K | 447.41 | Joback Calculated Property |
| Cp,gas | 379.83 | J/mol×K | 476.60 | Joback Calculated Property |
| Cp,gas | 396.84 | J/mol×K | 505.80 | Joback Calculated Property |
| Cp,gas | 413.06 | J/mol×K | 534.99 | Joback Calculated Property |
| Cp,gas | 428.53 | J/mol×K | 564.18 | Joback Calculated Property |
| Cp,gas | 443.27 | J/mol×K | 593.38 | Joback Calculated Property |
| Cp,gas | 457.31 | J/mol×K | 622.57 | Joback Calculated Property |
| η | [0.0002213; 0.0188587] | Pa×s | [201.15; 447.41] |
|
| η | 0.0188587 | Pa×s | 201.15 | Joback Calculated Property |
| η | 0.0047986 | Pa×s | 242.19 | Joback Calculated Property |
| η | 0.0018154 | Pa×s | 283.24 | Joback Calculated Property |
| η | 0.0008784 | Pa×s | 324.28 | Joback Calculated Property |
| η | 0.0005003 | Pa×s | 365.32 | Joback Calculated Property |
| η | 0.0003193 | Pa×s | 406.37 | Joback Calculated Property |
| η | 0.0002213 | Pa×s | 447.41 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [330.65; 476.92] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37335e+01 | |||
| Coefficient B | -3.29695e+03 | |||
| Coefficient C | -8.54500e+01 | |||
| Temperature range, min. | 330.65 | |||
| Temperature range, max. | 476.92 | |||
| Pvap | 1.33 | kPa | 330.65 | Calculated Property |
| Pvap | 3.08 | kPa | 346.90 | Calculated Property |
| Pvap | 6.43 | kPa | 363.15 | Calculated Property |
| Pvap | 12.40 | kPa | 379.41 | Calculated Property |
| Pvap | 22.32 | kPa | 395.66 | Calculated Property |
| Pvap | 37.88 | kPa | 411.91 | Calculated Property |
| Pvap | 61.15 | kPa | 428.16 | Calculated Property |
| Pvap | 94.53 | kPa | 444.42 | Calculated Property |
| Pvap | 140.71 | kPa | 460.67 | Calculated Property |
| Pvap | 202.66 | kPa | 476.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 2,2,6-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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