- InChI
- InChI=1S/C14H16/c1-2-3-6-12-9-10-13-7-4-5-8-14(13)11-12/h4-5,7-11H,2-3,6H2,1H3
- InChI Key
- UKAMWVYNAVUZEA-UHFFFAOYSA-N
- Formula
- C14H16
- SMILES
- CCCCc1ccc2ccccc2c1
- Molecular Weight1
- 184.28
- CAS
- 1134-62-9
- Other Names
-
- 2-Butylnaphthalene
- 2-n-Butylnaphthalene
- «beta»-Butylnaphthalene
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.4656; 0.5330] |
|
|
| ω | 0.4656 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.5330 | KDB | |
| ΔfG° | 276.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 164.900 | ml/mol | McGowan Calculated Property |
| Pc | [2500.00; 2541.23] | kPa |
|
| Pc | 2541.23 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2500.00 | kPa | KDB |
| Inp | [1564.00; 1611.00] |
|
|
| Inp | 1570.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Tboil | [554.00; 565.00] | K |
|
| Tboil | 562.20 | K | KDB |
| Tboil | 565.00 ± 4.00 | K | NIST |
| Tboil | 554.00 ± 4.00 | K | NIST |
| Tboil | 565.00 ± 5.00 | K | NIST |
| Tboil | 565.00 ± 5.00 | K | NIST |
| Tboil | 555.20 ± 2.00 | K | NIST |
| Tboil | 557.00 ± 5.00 | K | NIST |
| Tboil | 557.00 ± 5.00 | K | NIST |
| Tc | [781.00; 793.35] | K |
|
| Tc | 793.35 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 781.00 | K | KDB |
| Tfus | [220.00; 268.15] | K |
|
| Tfus | 268.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 268.00 | K | KDB |
| Tfus | 268.00 ± 3.00 | K | NIST |
| Tfus | 265.10 ± 1.50 | K | NIST |
| Tfus | 220.00 ± 4.00 | K | NIST |
| Vc | [0.610; 0.633] | m3/kmol |
|
| Vc | 0.610 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.633 | m3/kmol | KDB |
| Zc | 0.2438930 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.77; 529.25] | 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 | -6.08870e+01 | |||
| Coefficient B | 1.19172e+00 | |||
| Coefficient C | -8.38680e-04 | |||
| Coefficient D | 2.37100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 206.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 266.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 318.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 362.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 401.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 435.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 463.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 488.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 510.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 529.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045787; 0.0003047] | Pa×s | [257.85; 551.02] |
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 | -1.04795e+01 | |||
| Coefficient B | 1.31328e+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. | 257.85 | |||
| Temperature range, max. | 551.02 | |||
| η | 0.0045787 | Pa×s | 257.85 | Calculated Property |
| η | 0.0025861 | Pa×s | 290.42 | Calculated Property |
| η | 0.0016390 | Pa×s | 323.00 | Calculated Property |
| η | 0.0011293 | Pa×s | 355.57 | Calculated Property |
| η | 0.0008283 | Pa×s | 388.15 | Calculated Property |
| η | 0.0006374 | Pa×s | 420.72 | Calculated Property |
| η | 0.0005094 | Pa×s | 453.30 | Calculated Property |
| η | 0.0004194 | Pa×s | 485.87 | Calculated Property |
| η | 0.0003539 | Pa×s | 518.45 | Calculated Property |
| η | 0.0003047 | Pa×s | 551.02 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [423.44; 593.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46395e+01 | |||
| Coefficient B | -4.53509e+03 | |||
| Coefficient C | -1.07449e+02 | |||
| Temperature range, min. | 423.44 | |||
| Temperature range, max. | 593.63 | |||
| Pvap | 1.33 | kPa | 423.44 | Calculated Property |
| Pvap | 3.00 | kPa | 442.35 | Calculated Property |
| Pvap | 6.18 | kPa | 461.26 | Calculated Property |
| Pvap | 11.85 | kPa | 480.17 | Calculated Property |
| Pvap | 21.32 | kPa | 499.08 | Calculated Property |
| Pvap | 36.34 | kPa | 517.99 | Calculated Property |
| Pvap | 59.10 | kPa | 536.90 | Calculated Property |
| Pvap | 92.27 | kPa | 555.81 | Calculated Property |
| Pvap | 138.94 | kPa | 574.72 | Calculated Property |
| Pvap | 202.65 | kPa | 593.63 | Calculated Property |
| Pvap | [1.32; 151.10] | kPa | [412.15; 584.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.14122e+02 | |||
| Coefficient B | -1.78662e+04 | |||
| Coefficient C | -2.86395e+01 | |||
| Coefficient D | 1.14921e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 412.15 | |||
| Temperature range, max. | 584.00 | |||
| Pvap | 1.32 | kPa | 412.15 | Calculated Property |
| Pvap | 2.95 | kPa | 431.24 | Calculated Property |
| Pvap | 6.00 | kPa | 450.34 | Calculated Property |
| Pvap | 11.23 | kPa | 469.43 | Calculated Property |
| Pvap | 19.58 | kPa | 488.53 | Calculated Property |
| Pvap | 32.17 | kPa | 507.62 | Calculated Property |
| Pvap | 50.21 | kPa | 526.72 | Calculated Property |
| Pvap | 75.07 | kPa | 545.81 | Calculated Property |
| Pvap | 108.18 | kPa | 564.91 | Calculated Property |
| Pvap | 151.10 | kPa | 584.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 2-butyl-.
Sources
- KDB Vapor Pressure Data
- 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).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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