- InChI
- InChI=1S/C13H14/c1-9-4-7-13-11(3)10(2)5-6-12(13)8-9/h4-8H,1-3H3
- InChI Key
- GQYLQOBVKLBZPU-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- Cc1ccc2c(C)c(C)ccc2c1
- Molecular Weight1
- 170.26
- CAS
- 3031-05-8
- Other Names
-
- 1,2,6-trimethylnaphthalene
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4604 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.765 | Crippen Calculated Property | |
| McVol | 150.810 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [265.86; 267.50] |
|
|
| Inp | 267.50 | NIST | |
| Inp | 265.86 | NIST | |
| Inp | 265.90 | NIST | |
| Inp | 265.90 | NIST | |
| Inp | 267.50 | NIST | |
| Tboil | 558.22 | K | Relay (1.0) Calculated Property |
| Tc | 791.52 | K | Relay (1.0) Calculated Property |
| Tfus | 287.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.66; 471.58] | 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 | -3.13800e+01 | |||
| Coefficient B | 9.77760e-01 | |||
| Coefficient C | -6.50200e-04 | |||
| Coefficient D | 1.75400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 240.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 285.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 412.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 434.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 454.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 471.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018675; 0.0002909] | Pa×s | [287.15; 550.24] |
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 | -1.01717e+01 | |||
| Coefficient B | 1.11660e+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. | 287.15 | |||
| Temperature range, max. | 550.24 | |||
| η | 0.0018675 | Pa×s | 287.15 | Calculated Property |
| η | 0.0013039 | Pa×s | 316.38 | Calculated Property |
| η | 0.0009674 | Pa×s | 345.61 | Calculated Property |
| η | 0.0007519 | Pa×s | 374.85 | Calculated Property |
| η | 0.0006062 | Pa×s | 404.08 | Calculated Property |
| η | 0.0005031 | Pa×s | 433.31 | Calculated Property |
| η | 0.0004275 | Pa×s | 462.54 | Calculated Property |
| η | 0.0003703 | Pa×s | 491.77 | Calculated Property |
| η | 0.0003260 | Pa×s | 521.00 | Calculated Property |
| η | 0.0002909 | Pa×s | 550.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [419.15; 573.39] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47972e+01 | |||
| Coefficient B | -4.22567e+03 | |||
| Coefficient C | -1.27918e+02 | |||
| Temperature range, min. | 419.15 | |||
| Temperature range, max. | 573.39 | |||
| Pvap | 1.33 | kPa | 419.15 | Calculated Property |
| Pvap | 2.99 | kPa | 436.29 | Calculated Property |
| Pvap | 6.14 | kPa | 453.43 | Calculated Property |
| Pvap | 11.76 | kPa | 470.56 | Calculated Property |
| Pvap | 21.16 | kPa | 487.70 | Calculated Property |
| Pvap | 36.10 | kPa | 504.84 | Calculated Property |
| Pvap | 58.78 | kPa | 521.98 | Calculated Property |
| Pvap | 91.90 | kPa | 539.11 | Calculated Property |
| Pvap | 138.64 | kPa | 556.25 | Calculated Property |
| Pvap | 202.64 | kPa | 573.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,6-trimethyl-.
Sources
- 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).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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