- InChI
- InChI=1S/C13H14/c1-9-4-5-13-11(3)6-10(2)8-12(13)7-9/h4-8H,1-3H3
- InChI Key
- OHJWSORLJAKJEK-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- Cc1ccc2c(C)cc(C)cc2c1
- Molecular Weight1
- 170.25
- CAS
- 3031-08-1
- Other Names
-
- 1,3,6-trimethyl-naphthalene
- 1,3,6-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 | 0.4757 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 73.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | 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 | [260.00; 262.13] |
|
|
| Inp | 262.13 | NIST | |
| Inp | 262.10 | NIST | |
| Inp | 260.03 | NIST | |
| Inp | 260.00 | NIST | |
| Inp | 262.10 | NIST | |
| Inp | 262.13 | NIST | |
| Inp | 260.00 | NIST | |
| Tboil | 552.50 | K | Relay (1.0) Calculated Property |
| Tc | 788.04 | K | Relay (1.0) Calculated Property |
| Tfus | 314.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.00; 420.56] | J/mol×K | [557.44; 785.77] |
|
| Cp,gas | 342.00 | J/mol×K | 557.44 | Joback Calculated Property |
| Cp,gas | 357.34 | J/mol×K | 595.49 | Joback Calculated Property |
| Cp,gas | 371.70 | J/mol×K | 633.55 | Joback Calculated Property |
| Cp,gas | 385.15 | J/mol×K | 671.60 | Joback Calculated Property |
| Cp,gas | 397.73 | J/mol×K | 709.66 | Joback Calculated Property |
| Cp,gas | 409.52 | J/mol×K | 747.71 | Joback Calculated Property |
| Cp,gas | 420.56 | J/mol×K | 785.77 | Joback Calculated Property |
| η | [0.0002834; 0.0010939] | Pa×s | [332.95; 557.44] |
|
| η | 0.0010939 | Pa×s | 332.95 | Joback Calculated Property |
| η | 0.0007795 | Pa×s | 370.37 | Joback Calculated Property |
| η | 0.0005911 | Pa×s | 407.78 | Joback Calculated Property |
| η | 0.0004696 | Pa×s | 445.20 | Joback Calculated Property |
| η | 0.0003866 | Pa×s | 482.61 | Joback Calculated Property |
| η | 0.0003273 | Pa×s | 520.03 | Joback Calculated Property |
| η | 0.0002834 | Pa×s | 557.44 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [416.15; 573.85] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50524e+01 | |||
| Coefficient B | -4.51444e+03 | |||
| Coefficient C | -1.10392e+02 | |||
| Temperature range, min. | 416.15 | |||
| Temperature range, max. | 573.85 | |||
| Pvap | 1.33 | kPa | 416.15 | Calculated Property |
| Pvap | 2.97 | kPa | 433.67 | Calculated Property |
| Pvap | 6.09 | kPa | 451.19 | Calculated Property |
| Pvap | 11.63 | kPa | 468.72 | Calculated Property |
| Pvap | 20.93 | kPa | 486.24 | Calculated Property |
| Pvap | 35.73 | kPa | 503.76 | Calculated Property |
| Pvap | 58.29 | kPa | 521.28 | Calculated Property |
| Pvap | 91.36 | kPa | 538.81 | Calculated Property |
| Pvap | 138.22 | kPa | 556.33 | Calculated Property |
| Pvap | 202.67 | kPa | 573.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,3,6-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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