- InChI
- InChI=1S/C14H30/c1-5-8-9-10-11-12-13-14(4,6-2)7-3/h5-13H2,1-4H3
- InChI Key
- CYOLZLXWAGKBLQ-UHFFFAOYSA-N
- Formula
- C14H30
- SMILES
- CCCCCCCCC(C)(CC)CC
- Molecular Weight1
- 198.39
- 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 | 0.5502 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.563 | Crippen Calculated Property | |
| McVol | 208.120 | ml/mol | McGowan Calculated Property |
| Pc | 1546.35 | kPa | Joback Calculated Property |
| Inp | [1347.00; 1347.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Tboil | 507.85 | K | Relay (1.0) Calculated Property |
| Tc | 683.16 | K | Relay (1.0) Calculated Property |
| Tfus | 213.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.769 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.01; 743.07] | 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 | -3.43110e+01 | |||
| Coefficient B | 1.45968e+00 | |||
| Coefficient C | -9.09600e-04 | |||
| Coefficient D | 2.27300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 301.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 378.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 446.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 507.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 560.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 607.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 648.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 684.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 715.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 743.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0082820; 0.0002313] | Pa×s | [249.96; 479.27] |
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 | -1.22717e+01 | |||
| Coefficient B | 1.86922e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 249.96 | |||
| Temperature range, max. | 479.27 | |||
| η | 0.0082820 | Pa×s | 249.96 | Calculated Property |
| η | 0.0041468 | Pa×s | 275.44 | Calculated Property |
| η | 0.0023344 | Pa×s | 300.92 | Calculated Property |
| η | 0.0014374 | Pa×s | 326.40 | Calculated Property |
| η | 0.0009495 | Pa×s | 351.88 | Calculated Property |
| η | 0.0006633 | Pa×s | 377.35 | Calculated Property |
| η | 0.0004849 | Pa×s | 402.83 | Calculated Property |
| η | 0.0003679 | Pa×s | 428.31 | Calculated Property |
| η | 0.0002880 | Pa×s | 453.79 | Calculated Property |
| η | 0.0002313 | Pa×s | 479.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-3-methyl-undecane.
Sources
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