- InChI
- InChI=1S/C15H18/c1-9-6-7-14-12(4)10(2)11(3)13(5)15(14)8-9/h6-8H,1-5H3
- InChI Key
- ZQPCPWIIDOOAMV-UHFFFAOYSA-N
- Formula
- C15H18
- SMILES
- Cc1ccc2c(C)c(C)c(C)c(C)c2c1
- Molecular Weight1
- 198.30
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 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 | 0.5100 | Relay (1.0) Calculated Property | |
| ΔfG° | 246.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 24.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.382 | Crippen Calculated Property | |
| McVol | 178.990 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Inp | [314.65; 1864.00] |
|
|
| Inp | 1864.00 | NIST | |
| Inp | 316.62 | NIST | |
| Inp | 314.65 | NIST | |
| Inp | 316.62 | NIST | |
| Inp | 1864.00 | NIST | |
| Ip | 288.87 | NIST | |
| Tboil | 590.37 | K | Relay (1.0) Calculated Property |
| Tc | 821.48 | K | Relay (1.0) Calculated Property |
| Tfus | 350.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.19; 568.68] | 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 | -4.60000e+00 | |||
| Coefficient B | 1.04880e+00 | |||
| Coefficient C | -6.24920e-04 | |||
| Coefficient D | 1.49400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 294.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 345.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 390.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 430.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 465.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 496.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 523.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 547.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 568.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008508; 0.0002822] | Pa×s | [380.53; 584.74] |
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 | -1.02292e+01 | |||
| Coefficient B | 1.20240e+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. | 380.53 | |||
| Temperature range, max. | 584.74 | |||
| η | 0.0008508 | Pa×s | 380.53 | Calculated Property |
| η | 0.0007122 | Pa×s | 403.22 | Calculated Property |
| η | 0.0006076 | Pa×s | 425.91 | Calculated Property |
| η | 0.0005267 | Pa×s | 448.60 | Calculated Property |
| η | 0.0004630 | Pa×s | 471.29 | Calculated Property |
| η | 0.0004118 | Pa×s | 493.98 | Calculated Property |
| η | 0.0003700 | Pa×s | 516.67 | Calculated Property |
| η | 0.0003355 | Pa×s | 539.36 | Calculated Property |
| η | 0.0003066 | Pa×s | 562.05 | Calculated Property |
| η | 0.0002822 | Pa×s | 584.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,3,4,6-pentamethyl.
Sources
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