- InChI
- InChI=1S/C20H28/c1-3-5-7-8-12-18-16-20-14-10-9-13-19(20)15-17(18)11-6-4-2/h9-10,13-16H,3-8,11-12H2,1-2H3
- InChI Key
- KIOGLHSMEPYIQR-UHFFFAOYSA-N
- Formula
- C20H28
- SMILES
- CCCCCCc1cc2ccccc2cc1CCCC
- Molecular Weight1
- 268.44
- CAS
- 55000-56-1
- Other Names
-
- 2-Butyl-3-hexylnaphthalene
- 2-n-Butyl-3-n-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 | 0.7514 | Relay (1.0) Calculated Property | |
| ΔfG° | 317.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.63 | 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 | 645.18 | K | Relay (1.0) Calculated Property |
| Tc | 845.81 | K | Relay (1.0) Calculated Property |
| Tfus | 298.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.953 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 80.80 | kJ/mol | 453.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.60; 835.76] | 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 | -5.20420e+01 | |||
| Coefficient B | 1.70224e+00 | |||
| Coefficient C | -1.09804e-03 | |||
| Coefficient D | 2.83600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 336.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 425.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 503.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 572.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 632.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 685.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 730.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 770.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 805.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 835.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013226; 0.0002354] | Pa×s | [399.32; 641.26] |
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 | -1.12034e+01 | |||
| Coefficient B | 1.82698e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 399.32 | |||
| Temperature range, max. | 641.26 | |||
| η | 0.0013226 | Pa×s | 399.32 | Calculated Property |
| η | 0.0009911 | Pa×s | 426.20 | Calculated Property |
| η | 0.0007685 | Pa×s | 453.08 | Calculated Property |
| η | 0.0006132 | Pa×s | 479.97 | Calculated Property |
| η | 0.0005011 | Pa×s | 506.85 | Calculated Property |
| η | 0.0004179 | Pa×s | 533.73 | Calculated Property |
| η | 0.0003546 | Pa×s | 560.61 | Calculated Property |
| η | 0.0003055 | Pa×s | 587.50 | Calculated Property |
| η | 0.0002666 | Pa×s | 614.38 | Calculated Property |
| η | 0.0002354 | Pa×s | 641.26 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [485.11; 649.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.89994e+01 | |||
| Coefficient B | -8.36607e+03 | |||
| Coefficient C | -3.80080e+01 | |||
| Temperature range, min. | 485.11 | |||
| Temperature range, max. | 649.21 | |||
| Pvap | 1.33 | kPa | 485.11 | Calculated Property |
| Pvap | 2.78 | kPa | 503.34 | Calculated Property |
| Pvap | 5.47 | kPa | 521.58 | Calculated Property |
| Pvap | 10.25 | kPa | 539.81 | Calculated Property |
| Pvap | 18.39 | kPa | 558.04 | Calculated Property |
| Pvap | 31.72 | kPa | 576.28 | Calculated Property |
| Pvap | 52.78 | kPa | 594.51 | Calculated Property |
| Pvap | 85.03 | kPa | 612.74 | Calculated Property |
| Pvap | 133.04 | kPa | 630.98 | Calculated Property |
| Pvap | 202.66 | kPa | 649.21 | Calculated Property |
| Pvap | [0.07; 1.33] | kPa | [421.70; 485.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.83672e+01 | |||
| Coefficient B | -8.07798e+03 | |||
| Coefficient C | -3.83000e+01 | |||
| Reference | Dixon, Yarnell, et al., 1963 | |||
| Temperature range, min. | 421.70 | |||
| Temperature range, max. | 485.00 | |||
| Pvap | 0.07 | kPa | 421.70 | Calculated Property |
| Pvap | 0.10 | kPa | 428.73 | Calculated Property |
| Pvap | 0.14 | kPa | 435.77 | Calculated Property |
| Pvap | 0.20 | kPa | 442.80 | Calculated Property |
| Pvap | 0.28 | kPa | 449.83 | Calculated Property |
| Pvap | 0.39 | kPa | 456.87 | Calculated Property |
| Pvap | 0.54 | kPa | 463.90 | Calculated Property |
| Pvap | 0.74 | kPa | 470.93 | Calculated Property |
| Pvap | 0.99 | kPa | 477.97 | Calculated Property |
| Pvap | 1.33 | kPa | 485.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 2-butyl-3-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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