- InChI
- InChI=1S/C15H18/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13/h5-6,8-12H,2-4,7H2,1H3
- InChI Key
- QCMRTPFHMFJUDP-UHFFFAOYSA-N
- Formula
- C15H18
- SMILES
- CCCCCc1ccc2ccccc2c1
- Molecular Weight1
- 198.30
- CAS
- 93-22-1
- 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).
- 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 | 0.5750 | KDB | |
| ΔfG° | 284.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 55.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.572 | Crippen Calculated Property | |
| McVol | 178.990 | ml/mol | McGowan Calculated Property |
| Pc | 2270.00 | kPa | KDB |
| Tboil | [565.50; 583.20] | K |
|
| Tboil | 583.20 | K | KDB |
| Tboil | 581.00 ± 4.00 | K | NIST |
| Tboil | 566.20 ± 4.00 | K | NIST |
| Tboil | 583.00 ± 8.00 | K | NIST |
| Tboil | 583.00 ± 8.00 | K | NIST |
| Tboil | 565.50 ± 2.00 | K | NIST |
| Tc | 797.50 | K | KDB |
| Tfus | [259.10; 269.00] | K |
|
| Tfus | 269.00 | K | KDB |
| Tfus | 269.00 ± 3.00 | K | NIST |
| Tfus | 259.10 ± 1.50 | K | NIST |
| Vc | 0.690 | m3/kmol | KDB |
| Zc | 0.2360440 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.98; 580.84] | 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 | -6.17960e+01 | |||
| Coefficient B | 1.28672e+00 | |||
| Coefficient C | -8.93080e-04 | |||
| Coefficient D | 2.49000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 227.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 292.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 349.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 398.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 440.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 477.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 508.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 535.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 559.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 580.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049515; 0.0003084] | Pa×s | [265.70; 558.25] |
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 | -1.06052e+01 | |||
| Coefficient B | 1.40744e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 265.70 | |||
| Temperature range, max. | 558.25 | |||
| η | 0.0049515 | Pa×s | 265.70 | Calculated Property |
| η | 0.0027795 | Pa×s | 298.21 | Calculated Property |
| η | 0.0017478 | Pa×s | 330.71 | Calculated Property |
| η | 0.0011942 | Pa×s | 363.22 | Calculated Property |
| η | 0.0008687 | Pa×s | 395.72 | Calculated Property |
| η | 0.0006631 | Pa×s | 428.23 | Calculated Property |
| η | 0.0005259 | Pa×s | 460.73 | Calculated Property |
| η | 0.0004300 | Pa×s | 493.24 | Calculated Property |
| η | 0.0003605 | Pa×s | 525.74 | Calculated Property |
| η | 0.0003084 | Pa×s | 558.25 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [433.40; 616.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53852e+01 | |||
| Coefficient B | -5.54036e+03 | |||
| Coefficient C | -6.64260e+01 | |||
| Temperature range, min. | 433.40 | |||
| Temperature range, max. | 616.41 | |||
| Pvap | 1.33 | kPa | 433.40 | Calculated Property |
| Pvap | 2.95 | kPa | 453.73 | Calculated Property |
| Pvap | 6.01 | kPa | 474.07 | Calculated Property |
| Pvap | 11.47 | kPa | 494.40 | Calculated Property |
| Pvap | 20.63 | kPa | 514.74 | Calculated Property |
| Pvap | 35.28 | kPa | 535.07 | Calculated Property |
| Pvap | 57.67 | kPa | 555.41 | Calculated Property |
| Pvap | 90.66 | kPa | 575.74 | Calculated Property |
| Pvap | 137.66 | kPa | 596.08 | Calculated Property |
| Pvap | 202.66 | kPa | 616.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-pentylnaphthalene.
Sources
- 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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