- InChI
- InChI=1S/C16H20/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14/h6-7,9-13H,2-5,8H2,1H3
- InChI Key
- ZGHJVWFEQWVPTB-UHFFFAOYSA-N
- Formula
- C16H20
- SMILES
- CCCCCCc1ccc2ccccc2c1
- Molecular Weight1
- 212.34
- 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).
- 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 | 0.6038 | Relay (1.0) Calculated Property | |
| ΔfG° | 293.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.963 | Crippen Calculated Property | |
| McVol | 193.080 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Tboil | [578.00; 596.70] | K |
|
| Tboil | 596.00 ± 5.00 | K | NIST |
| Tboil | 578.00 ± 8.00 | K | NIST |
| Tboil | 596.70 ± 3.00 | K | NIST |
| Tboil | 596.70 ± 3.00 | K | NIST |
| Tc | 810.55 | K | Relay (1.0) Calculated Property |
| Tfus | [266.30; 280.00] | K |
|
| Tfus | 270.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 280.00 ± 3.00 | K | NIST |
| Tfus | 267.60 ± 2.00 | K | NIST |
| Tfus | 266.30 ± 1.50 | K | NIST |
| Vc | 0.741 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.20; 632.44] | 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 | -6.27050e+01 | |||
| Coefficient B | 1.38172e+00 | |||
| Coefficient C | -9.47480e-04 | |||
| Coefficient D | 2.60900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 249.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 319.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 380.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 433.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 479.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 519.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 553.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 583.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 609.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 632.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055435; 0.0002877] | Pa×s | [271.01; 581.47] |
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 | -1.07358e+01 | |||
| Coefficient B | 1.50160e+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. | 271.01 | |||
| Temperature range, max. | 581.47 | |||
| η | 0.0055435 | Pa×s | 271.01 | Calculated Property |
| η | 0.0029654 | Pa×s | 305.51 | Calculated Property |
| η | 0.0018010 | Pa×s | 340.00 | Calculated Property |
| η | 0.0011991 | Pa×s | 374.50 | Calculated Property |
| η | 0.0008550 | Pa×s | 409.00 | Calculated Property |
| η | 0.0006426 | Pa×s | 443.49 | Calculated Property |
| η | 0.0005033 | Pa×s | 477.99 | Calculated Property |
| η | 0.0004074 | Pa×s | 512.48 | Calculated Property |
| η | 0.0003386 | Pa×s | 546.98 | Calculated Property |
| η | 0.0002877 | Pa×s | 581.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 2-hexyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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