- InChI
- InChI=1S/C12H26/c1-7-11(5,8-2)12(6,9-3)10-4/h7-10H2,1-6H3
- InChI Key
- NTQKWVJMJSYRDX-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCC(C)(CC)C(C)(CC)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 | 0.3915 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.639 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | 1186.60 | NIST | |
| Tboil | 475.12 | K | Relay (1.0) Calculated Property |
| Tc | 671.27 | K | Relay (1.0) Calculated Property |
| Tfus | 283.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.612 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.13; 641.35] | 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 | -5.69660e+01 | |||
| Coefficient B | 1.39552e+00 | |||
| Coefficient C | -9.72600e-04 | |||
| Coefficient D | 2.75400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 257.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 388.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 441.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 487.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 527.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 561.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 591.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 617.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 641.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0149911; 0.0002420] | Pa×s | [229.84; 453.83] |
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 | -1.25602e+01 | |||
| Coefficient B | 1.92144e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 229.84 | |||
| Temperature range, max. | 453.83 | |||
| η | 0.0149911 | Pa×s | 229.84 | Calculated Property |
| η | 0.0066237 | Pa×s | 254.73 | Calculated Property |
| η | 0.0033846 | Pa×s | 279.62 | Calculated Property |
| η | 0.0019302 | Pa×s | 304.50 | Calculated Property |
| η | 0.0011982 | Pa×s | 329.39 | Calculated Property |
| η | 0.0007954 | Pa×s | 354.28 | Calculated Property |
| η | 0.0005571 | Pa×s | 379.17 | Calculated Property |
| η | 0.0004078 | Pa×s | 404.06 | Calculated Property |
| η | 0.0003094 | Pa×s | 428.95 | Calculated Property |
| η | 0.0002420 | Pa×s | 453.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethyl-3,4-diethyl-hexane.
Sources
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