- InChI
- InChI=1S/C14H16/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-6,8-11H,2-3,7H2,1H3
- InChI Key
- URGSMJLDEFDWNX-UHFFFAOYSA-N
- Formula
- C14H16
- SMILES
- CCCCc1cccc2ccccc12
- Molecular Weight1
- 184.28
- CAS
- 1634-09-9
- Other Names
-
- 1-Butylnaphthalene
- 1-Naphthyl-1-butane
- 1-n-Butylnaphthalene
- ALPHA-BUTYLNAPHTHALENE
- «alpha»-Butylnaphthalene
- «alpha»-Butylnaphthalene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 | 0.5330 | KDB | |
| ΔcH°liquid | -7427.00 | kJ/mol | NIST |
| ΔfG° | 276.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 83.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.34 | kJ/mol | Joback Calculated Property |
| IE | 7.76 | eV | NIST |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 164.900 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | KDB |
| Inp | [1555.00; 1604.00] |
|
|
| Inp | 1562.00 | NIST | |
| Inp | 1604.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Tboil | 562.60 | K | KDB |
| Tc | 781.50 | K | KDB |
| Tfus | [207.00; 253.39] | K |
|
| Tfus | 253.00 | K | KDB |
| Tfus | 253.39 ± 0.20 | K | NIST |
| Tfus | 250.00 ± 4.00 | K | NIST |
| Tfus | 207.00 ± 5.00 | K | NIST |
| Vc | 0.633 | m3/kmol | KDB |
| Zc | 0.2437370 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.98; 474.78] | J/mol×K | [570.36; 792.35] |
|
| Cp,gas | 389.98 | J/mol×K | 570.36 | Joback Calculated Property |
| Cp,gas | 406.66 | J/mol×K | 607.36 | Joback Calculated Property |
| Cp,gas | 422.22 | J/mol×K | 644.36 | Joback Calculated Property |
| Cp,gas | 436.74 | J/mol×K | 681.35 | Joback Calculated Property |
| Cp,gas | 450.29 | J/mol×K | 718.35 | Joback Calculated Property |
| Cp,gas | 462.95 | J/mol×K | 755.35 | Joback Calculated Property |
| Cp,gas | 474.78 | J/mol×K | 792.35 | Joback Calculated Property |
| η | [0.0002810; 0.0017208] | Pa×s | [319.18; 570.36] |
|
| η | 0.0017208 | Pa×s | 319.18 | Joback Calculated Property |
| η | 0.0010679 | Pa×s | 361.04 | Joback Calculated Property |
| η | 0.0007318 | Pa×s | 402.91 | Joback Calculated Property |
| η | 0.0005385 | Pa×s | 444.77 | Joback Calculated Property |
| η | 0.0004177 | Pa×s | 486.63 | Joback Calculated Property |
| η | 0.0003373 | Pa×s | 528.50 | Joback Calculated Property |
| η | 0.0002810 | Pa×s | 570.36 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [412.51; 612.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 9.41357e+00 | |||
| Coefficient B | -1.49039e+03 | |||
| Coefficient C | -2.49195e+02 | |||
| Temperature range, min. | 412.51 | |||
| Temperature range, max. | 612.52 | |||
| Pvap | 1.33 | kPa | 412.51 | Calculated Property |
| Pvap | 3.98 | kPa | 434.73 | Calculated Property |
| Pvap | 9.39 | kPa | 456.96 | Calculated Property |
| Pvap | 18.79 | kPa | 479.18 | Calculated Property |
| Pvap | 33.26 | kPa | 501.40 | Calculated Property |
| Pvap | 53.67 | kPa | 523.63 | Calculated Property |
| Pvap | 80.61 | kPa | 545.85 | Calculated Property |
| Pvap | 114.40 | kPa | 568.07 | Calculated Property |
| Pvap | 155.13 | kPa | 590.30 | Calculated Property |
| Pvap | 202.65 | kPa | 612.52 | Calculated Property |
| Pvap | [1.59e-06; 2498.65] | kPa | [253.43; 792.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.46266e+02 | |||
| Coefficient B | -1.44257e+04 | |||
| Coefficient C | -1.86294e+01 | |||
| Coefficient D | 6.55933e-06 | |||
| Temperature range, min. | 253.43 | |||
| Temperature range, max. | 792.00 | |||
| Pvap | 1.59e-06 | kPa | 253.43 | Calculated Property |
| Pvap | 2.02e-03 | kPa | 313.27 | Calculated Property |
| Pvap | 0.16 | kPa | 373.11 | Calculated Property |
| Pvap | 2.96 | kPa | 432.95 | Calculated Property |
| Pvap | 21.80 | kPa | 492.79 | Calculated Property |
| Pvap | 92.50 | kPa | 552.64 | Calculated Property |
| Pvap | 275.77 | kPa | 612.48 | Calculated Property |
| Pvap | 654.34 | kPa | 672.32 | Calculated Property |
| Pvap | 1339.63 | kPa | 732.16 | Calculated Property |
| Pvap | 2498.65 | kPa | 792.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1-butyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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