- InChI
- InChI=1S/C10H22/c1-8(2)9(3)7-10(4,5)6/h8-9H,7H2,1-6H3
- InChI Key
- KDRZICOOQNIJDN-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CC(C)C(C)CC(C)(C)C
- Molecular Weight1
- 142.28
- CAS
- 16747-42-5
- Other Names
-
- 2,2,4,5-Tetramethylhexane
- 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).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- n0 : Refractive Index.
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3630 | KDB | |
| ΔfG° | 31.28 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6768.46 | kJ/mol | KDB |
| Δc,netH | 6284.326 | kJ/mol | KDB |
| ΔfH°gas | -269.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.40 | kJ/mol | NIST |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 3.715 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2220.00 | kPa | KDB |
| Inp | [870.00; 872.10] |
|
|
| Inp | 872.00 | NIST | |
| Inp | 872.10 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | Outlier 870.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 872.00 | NIST | |
| Tboil | [421.00; 444.10] | K |
|
| Tboil | 421.00 | K | KDB |
| Tboil | 444.10 ± 0.30 | K | NIST |
| Tboil | 421.02 ± 0.10 | K | NIST |
| Tc | 598.50 | K | KDB |
| Tfus | 219.00 | K | KDB |
| Vc | 0.544 | m3/kmol | KDB |
| Zc | 0.2426900 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.88; 410.05] | J/mol×K | [424.09; 604.51] |
|
| Cp,gas | 316.88 | J/mol×K | 424.09 | Joback Calculated Property |
| Cp,gas | 334.37 | J/mol×K | 454.16 | Joback Calculated Property |
| Cp,gas | 351.04 | J/mol×K | 484.23 | Joback Calculated Property |
| Cp,gas | 366.91 | J/mol×K | 514.30 | Joback Calculated Property |
| Cp,gas | 382.02 | J/mol×K | 544.37 | Joback Calculated Property |
| Cp,gas | 396.39 | J/mol×K | 574.44 | Joback Calculated Property |
| Cp,gas | 410.05 | J/mol×K | 604.51 | Joback Calculated Property |
| η | [0.0002298; 0.0446565] | Pa×s | [174.88; 424.09] |
|
| η | 0.0446565 | Pa×s | 174.88 | Joback Calculated Property |
| η | 0.0079881 | Pa×s | 216.41 | Joback Calculated Property |
| η | 0.0024872 | Pa×s | 257.95 | Joback Calculated Property |
| η | 0.0010703 | Pa×s | 299.49 | Joback Calculated Property |
| η | 0.0005656 | Pa×s | 341.02 | Joback Calculated Property |
| η | 0.0003433 | Pa×s | 382.55 | Joback Calculated Property |
| η | 0.0002298 | Pa×s | 424.09 | Joback Calculated Property |
| ΔvapH | 35.81 | kJ/mol | 421.00 | KDB |
| n0 | 1.41095 | 298.15 | KDB | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [306.87; 449.90] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39851e+01 | |||
| Coefficient B | -3.38226e+03 | |||
| Coefficient C | -5.99490e+01 | |||
| Temperature range, min. | 306.87 | |||
| Temperature range, max. | 449.90 | |||
| Pvap | 1.33 | kPa | 306.87 | Calculated Property |
| Pvap | 3.05 | kPa | 322.76 | Calculated Property |
| Pvap | 6.36 | kPa | 338.65 | Calculated Property |
| Pvap | 12.23 | kPa | 354.55 | Calculated Property |
| Pvap | 22.02 | kPa | 370.44 | Calculated Property |
| Pvap | 37.42 | kPa | 386.33 | Calculated Property |
| Pvap | 60.55 | kPa | 402.22 | Calculated Property |
| Pvap | 93.86 | kPa | 418.12 | Calculated Property |
| Pvap | 140.20 | kPa | 434.01 | Calculated Property |
| Pvap | 202.67 | kPa | 449.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,2,4,5-tetramethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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