- InChI
- InChI=1S/C20H28/c1-3-5-7-8-11-18-12-9-13-19-15-14-17(10-6-4-2)16-20(18)19/h9,12-16H,3-8,10-11H2,1-2H3
- InChI Key
- LPEFBGSLSJQKAH-UHFFFAOYSA-N
- Formula
- C20H28
- SMILES
- CCCCCCc1cccc2ccc(CCCC)cc12
- Molecular Weight1
- 268.44
- CAS
- 55000-55-0
- Other Names
-
- 7-Butyl-1-hexylnaphthalene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 0.7574 | Relay (1.0) Calculated Property | |
| ΔfG° | 317.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.305 | Crippen Calculated Property | |
| McVol | 249.440 | ml/mol | McGowan Calculated Property |
| Pc | 1488.44 | kPa | Joback Calculated Property |
| Tboil | 648.76 | K | Relay (1.0) Calculated Property |
| Tc | 843.51 | K | Relay (1.0) Calculated Property |
| Tfus | 270.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.03; 803.79] | J/mol×K | [712.62; 915.83] | 
|
| Cp,gas | 706.03 | J/mol×K | 712.62 | Joback Calculated Property |
| Cp,gas | 724.75 | J/mol×K | 746.49 | Joback Calculated Property |
| Cp,gas | 742.42 | J/mol×K | 780.36 | Joback Calculated Property |
| Cp,gas | 759.09 | J/mol×K | 814.22 | Joback Calculated Property |
| Cp,gas | 774.83 | J/mol×K | 848.09 | Joback Calculated Property |
| Cp,gas | 789.71 | J/mol×K | 881.96 | Joback Calculated Property |
| Cp,gas | 803.79 | J/mol×K | 915.83 | Joback Calculated Property |
| η | [0.0001770; 0.0013226] | Pa×s | [399.32; 712.62] |
|
| η | 0.0013226 | Pa×s | 399.32 | Joback Calculated Property |
| η | 0.0007792 | Pa×s | 451.54 | Joback Calculated Property |
| η | 0.0005123 | Pa×s | 503.75 | Joback Calculated Property |
| η | 0.0003644 | Pa×s | 555.97 | Joback Calculated Property |
| η | 0.0002748 | Pa×s | 608.19 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 660.40 | Joback Calculated Property |
| η | 0.0001770 | Pa×s | 712.62 | Joback Calculated Property |
| ΔvapH | 78.10 | kJ/mol | 449.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [480.64; 649.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.12368e+01 | |||
| Coefficient B | -1.11831e+04 | |||
| Coefficient C | 5.31860e+01 | |||
| Temperature range, min. | 480.64 | |||
| Temperature range, max. | 649.04 | |||
| Pvap | 1.33 | kPa | 480.64 | Calculated Property |
| Pvap | 2.71 | kPa | 499.35 | Calculated Property |
| Pvap | 5.26 | kPa | 518.06 | Calculated Property |
| Pvap | 9.79 | kPa | 536.77 | Calculated Property |
| Pvap | 17.53 | kPa | 555.48 | Calculated Property |
| Pvap | 30.32 | kPa | 574.20 | Calculated Property |
| Pvap | 50.80 | kPa | 592.91 | Calculated Property |
| Pvap | 82.69 | kPa | 611.62 | Calculated Property |
| Pvap | 131.05 | kPa | 630.33 | Calculated Property |
| Pvap | 202.66 | kPa | 649.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 7-butyl-1-hexyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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