- InChI
- InChI=1S/C19H40/c1-7-18(8-2,9-3)16-14-13-15-17-19(10-4,11-5)12-6/h7-17H2,1-6H3
- InChI Key
- KKQMWCISWMDQFO-UHFFFAOYSA-N
- Formula
- C19H40
- SMILES
- CCC(CC)(CC)CCCCCC(CC)(CC)CC
- Molecular Weight1
- 268.53
- 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).
- 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 | 0.6403 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.12 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.370 | Crippen Calculated Property | |
| McVol | 278.570 | ml/mol | McGowan Calculated Property |
| Pc | 1108.15 | kPa | Joback Calculated Property |
| Inp | 1779.00 | NIST | |
| Tboil | 560.89 | K | Relay (1.0) Calculated Property |
| Tc | 750.65 | K | Relay (1.0) Calculated Property |
| Tfus | 261.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.017 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.62; 1002.49] | 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 | -6.33290e+01 | |||
| Coefficient B | 2.06052e+00 | |||
| Coefficient C | -1.35340e-03 | |||
| Coefficient D | 3.58700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 405.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 605.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 688.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 760.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 822.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 876.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 924.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 965.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1002.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058611; 0.0001384] | Pa×s | [308.73; 559.43] |
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 | -1.34980e+01 | |||
| Coefficient B | 2.58056e+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. | 308.73 | |||
| Temperature range, max. | 559.43 | |||
| η | 0.0058611 | Pa×s | 308.73 | Calculated Property |
| η | 0.0029346 | Pa×s | 336.59 | Calculated Property |
| η | 0.0016332 | Pa×s | 364.44 | Calculated Property |
| η | 0.0009878 | Pa×s | 392.30 | Calculated Property |
| η | 0.0006387 | Pa×s | 420.15 | Calculated Property |
| η | 0.0004359 | Pa×s | 448.01 | Calculated Property |
| η | 0.0003112 | Pa×s | 475.87 | Calculated Property |
| η | 0.0002305 | Pa×s | 503.72 | Calculated Property |
| η | 0.0001763 | Pa×s | 531.58 | Calculated Property |
| η | 0.0001384 | Pa×s | 559.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,9,9-Tetraethylundecane.
Sources
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