- InChI
- InChI=1S/C12H26/c1-6-10(3)8-9-12(5)11(4)7-2/h10-12H,6-9H2,1-5H3
- InChI Key
- HQIBDLHPQGDJEW-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCC(C)CCC(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 | 0.4530 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.495 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | [1112.40; 1112.40] |
|
|
| Inp | 1112.40 | NIST | |
| Inp | 1112.40 | NIST | |
| Tboil | 467.66 | K | Relay (1.0) Calculated Property |
| Tc | 648.21 | K | Relay (1.0) Calculated Property |
| Tfus | 194.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.10; 640.03] | 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 | -1.30660e+01 | |||
| Coefficient B | 1.16160e+00 | |||
| Coefficient C | -6.38600e-04 | |||
| Coefficient D | 1.30100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 259.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 323.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 381.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 433.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 480.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 520.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 557.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 588.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 616.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 640.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0383167; 0.0002146] | Pa×s | [180.00; 450.74] |
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 | -1.18942e+01 | |||
| Coefficient B | 1.55382e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 180.00 | |||
| Temperature range, max. | 450.74 | |||
| η | 0.0383167 | Pa×s | 180.00 | Calculated Property |
| η | 0.0111317 | Pa×s | 210.08 | Calculated Property |
| η | 0.0044078 | Pa×s | 240.16 | Calculated Property |
| η | 0.0021451 | Pa×s | 270.25 | Calculated Property |
| η | 0.0012060 | Pa×s | 300.33 | Calculated Property |
| η | 0.0007530 | Pa×s | 330.41 | Calculated Property |
| η | 0.0005086 | Pa×s | 360.49 | Calculated Property |
| η | 0.0003649 | Pa×s | 390.58 | Calculated Property |
| η | 0.0002745 | Pa×s | 420.66 | Calculated Property |
| η | 0.0002146 | Pa×s | 450.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,7-Trimethylnonane, a.
Sources
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