- InChI
- InChI=1S/C17H36/c1-7-16(8-2,9-3)14-13-15-17(10-4,11-5)12-6/h7-15H2,1-6H3
- InChI Key
- FHNMNEJLHAEGLT-UHFFFAOYSA-N
- Formula
- C17H36
- SMILES
- CCC(CC)(CC)CCCC(CC)(CC)CC
- Molecular Weight1
- 240.47
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5663 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.91 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.590 | Crippen Calculated Property | |
| McVol | 250.390 | ml/mol | McGowan Calculated Property |
| Pc | 1264.65 | kPa | Joback Calculated Property |
| Inp | 1580.00 | NIST | |
| Tboil | 544.27 | K | Relay (1.0) Calculated Property |
| Tc | 730.20 | K | Relay (1.0) Calculated Property |
| Tfus | 254.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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 | [363.20; 899.31] | 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 | -6.15110e+01 | |||
| Coefficient B | 1.87052e+00 | |||
| Coefficient C | -1.24460e-03 | |||
| Coefficient D | 3.34900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 363.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 459.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 543.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 617.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 682.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 738.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 786.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 829.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 866.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 899.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0078169; 0.0001691] | Pa×s | [286.19; 528.61] |
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 | -1.32104e+01 | |||
| Coefficient B | 2.39224e+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. | 286.19 | |||
| Temperature range, max. | 528.61 | |||
| η | 0.0078169 | Pa×s | 286.19 | Calculated Property |
| η | 0.0038086 | Pa×s | 313.13 | Calculated Property |
| η | 0.0020795 | Pa×s | 340.06 | Calculated Property |
| η | 0.0012409 | Pa×s | 367.00 | Calculated Property |
| η | 0.0007946 | Pa×s | 393.93 | Calculated Property |
| η | 0.0005387 | Pa×s | 420.87 | Calculated Property |
| η | 0.0003827 | Pa×s | 447.80 | Calculated Property |
| η | 0.0002827 | Pa×s | 474.74 | Calculated Property |
| η | 0.0002157 | Pa×s | 501.67 | Calculated Property |
| η | 0.0001691 | Pa×s | 528.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,7,7-Tetraethylnonane.
Sources
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