- InChI
- InChI=1S/C21H44/c1-7-20(8-2,9-3)18-16-14-13-15-17-19-21(10-4,11-5)12-6/h7-19H2,1-6H3
- InChI Key
- GVEHWITXYSVWBO-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCC(CC)(CC)CCCCCCCC(CC)(CC)CC
- Molecular Weight1
- 296.57
- 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 | 0.7133 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.51 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.150 | Crippen Calculated Property | |
| McVol | 306.750 | ml/mol | McGowan Calculated Property |
| Pc | 979.01 | kPa | Joback Calculated Property |
| Inp | [1980.00; 1980.00] |
|
|
| Inp | 1980.00 | NIST | |
| Inp | 1980.00 | NIST | |
| Tboil | 575.83 | K | Relay (1.0) Calculated Property |
| Tc | 769.65 | K | Relay (1.0) Calculated Property |
| Tfus | 264.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.133 | 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 | [448.05; 1105.67] | 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 | -6.51470e+01 | |||
| Coefficient B | 2.25052e+00 | |||
| Coefficient C | -1.46220e-03 | |||
| Coefficient D | 3.82500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 448.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 564.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 668.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 758.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 837.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 906.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 966.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1019.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1065.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1105.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043469; 0.0001102] | Pa×s | [331.27; 591.23] |
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 | -1.37967e+01 | |||
| Coefficient B | 2.76888e+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. | 331.27 | |||
| Temperature range, max. | 591.23 | |||
| η | 0.0043469 | Pa×s | 331.27 | Calculated Property |
| η | 0.0022236 | Pa×s | 360.15 | Calculated Property |
| η | 0.0012565 | Pa×s | 389.04 | Calculated Property |
| η | 0.0007683 | Pa×s | 417.92 | Calculated Property |
| η | 0.0005006 | Pa×s | 446.81 | Calculated Property |
| η | 0.0003436 | Pa×s | 475.69 | Calculated Property |
| η | 0.0002462 | Pa×s | 504.58 | Calculated Property |
| η | 0.0001829 | Pa×s | 533.46 | Calculated Property |
| η | 0.0001401 | Pa×s | 562.35 | Calculated Property |
| η | 0.0001102 | Pa×s | 591.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,11,11-Tetraethyltridecane.
Sources
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