- InChI
- InChI=1S/C12H26/c1-7-9(3)11(5)12(6)10(4)8-2/h9-12H,7-8H2,1-6H3
- InChI Key
- NADJQGPTQSFIHB-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCC(C)C(C)C(C)C(C)CC
- Molecular Weight1
- 170.33
- 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 | 0.4222 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.351 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1829.41 | kPa | Joback Calculated Property |
| Inp | 1105.85 | NIST | |
| Tboil | 467.48 | K | Relay (1.0) Calculated Property |
| Tc | 644.35 | K | Relay (1.0) Calculated Property |
| Tfus | 209.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.79; 640.57] | 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 | -1.47480e+01 | |||
| Coefficient B | 1.16752e+00 | |||
| Coefficient C | -6.41800e-04 | |||
| Coefficient D | 1.29600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 323.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 382.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 434.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 480.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 521.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 557.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 589.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 616.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 640.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0923748; 0.0002006] | Pa×s | [165.00; 452.94] |
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 | -1.20282e+01 | |||
| Coefficient B | 1.59164e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 165.00 | |||
| Temperature range, max. | 452.94 | |||
| η | 0.0923748 | Pa×s | 165.00 | Calculated Property |
| η | 0.0192829 | Pa×s | 196.99 | Calculated Property |
| η | 0.0062361 | Pa×s | 228.99 | Calculated Property |
| η | 0.0026598 | Pa×s | 260.98 | Calculated Property |
| η | 0.0013665 | Pa×s | 292.97 | Calculated Property |
| η | 0.0008004 | Pa×s | 324.97 | Calculated Property |
| η | 0.0005160 | Pa×s | 356.96 | Calculated Property |
| η | 0.0003576 | Pa×s | 388.95 | Calculated Property |
| η | 0.0002620 | Pa×s | 420.95 | Calculated Property |
| η | 0.0002006 | Pa×s | 452.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5,6-Tetramethyloctane, b.
Sources
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