- InChI
- InChI=1S/C16H20/c1-11(2)13-8-9-16-14(10-13)6-5-7-15(16)12(3)4/h5-12H,1-4H3
- InChI Key
- GQHUSRBBMNYHIF-UHFFFAOYSA-N
- Formula
- C16H20
- SMILES
- CC(C)c1ccc2c(C(C)C)cccc2c1
- Molecular Weight1
- 212.34
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : 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 | 0.4990 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -16.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.75 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.087 | Crippen Calculated Property | |
| McVol | 193.080 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Inp | 1707.00 | NIST | |
| I | [2226.00; 2254.00] |
|
|
| I | 2254.00 | NIST | |
| I | 2226.00 | NIST | |
| Tboil | 576.98 | K | Relay (1.0) Calculated Property |
| Tc | 810.81 | K | Relay (1.0) Calculated Property |
| Tfus | 316.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.724 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [251.12; 630.47] | 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 | -5.17700e+01 | |||
| Coefficient B | 1.33408e+00 | |||
| Coefficient C | -8.86840e-04 | |||
| Coefficient D | 2.35000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 319.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 432.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 478.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 517.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 552.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 581.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 607.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 630.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020223; 0.0002414] | Pa×s | [324.24; 591.28] |
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 | -1.09098e+01 | |||
| Coefficient B | 1.52598e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 324.24 | |||
| Temperature range, max. | 591.28 | |||
| η | 0.0020223 | Pa×s | 324.24 | Calculated Property |
| η | 0.0013630 | Pa×s | 353.91 | Calculated Property |
| η | 0.0009764 | Pa×s | 383.58 | Calculated Property |
| η | 0.0007338 | Pa×s | 413.25 | Calculated Property |
| η | 0.0005730 | Pa×s | 442.93 | Calculated Property |
| η | 0.0004616 | Pa×s | 472.60 | Calculated Property |
| η | 0.0003814 | Pa×s | 502.27 | Calculated Property |
| η | 0.0003219 | Pa×s | 531.94 | Calculated Property |
| η | 0.0002767 | Pa×s | 561.61 | Calculated Property |
| η | 0.0002414 | Pa×s | 591.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,6-diisopropyl.
Sources
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