- InChI
- InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3
- InChI Key
- JBXULKRNHAQMAS-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- Cc1cc2cccc(C)c2cc1C
- Molecular Weight1
- 170.25
- CAS
- 2245-38-7
- Other Names
-
- 1,6,7-Trimethylnaphthalene
- 2,3,5-Trimethylnaphthalene
- Naphthalene, 2,3,5-trimethyl-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 248.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 81.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen 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 | [265.58; 1573.00] |
|
|
| Inp | 1547.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 266.94 | NIST | |
| Inp | 267.94 | NIST | |
| Inp | 266.94 | NIST | |
| Inp | 269.34 | NIST | |
| Inp | 267.12 | NIST | |
| Inp | 267.50 | NIST | |
| Inp | 265.58 | NIST | |
| Inp | 267.61 | NIST | |
| Inp | 267.43 | NIST | |
| Inp | 265.81 | NIST | |
| Inp | 267.54 | NIST | |
| Inp | 265.90 | NIST | |
| Inp | 266.50 | NIST | |
| Inp | 265.90 | NIST | |
| Inp | 265.90 | NIST | |
| Inp | 265.90 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 266.50 | NIST | |
| Inp | 266.94 | NIST | |
| Inp | 267.50 | NIST | |
| Inp | 267.54 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1542.00 | NIST | |
| I | [2182.00; 2182.00] |
|
|
| I | 2182.00 | NIST | |
| I | 2182.00 | NIST | |
| Tboil | 557.44 | K | Joback Calculated Property |
| Tc | 785.77 | K | Joback Calculated Property |
| Tfus | 298.65 ± 0.50 | K | NIST |
| Vc | 0.578 | m3/kmol | Joback 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 |
| ΔvapH | 68.60 | kJ/mol | 398.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 558.20 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [411.15; 574.58] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55003e+01 | |||
| Coefficient B | -5.04223e+03 | |||
| Coefficient C | -7.97010e+01 | |||
| Temperature range, min. | 411.15 | |||
| Temperature range, max. | 574.58 | |||
| Pvap | 1.33 | kPa | 411.15 | Calculated Property |
| Pvap | 2.94 | kPa | 429.31 | Calculated Property |
| Pvap | 5.99 | kPa | 447.47 | Calculated Property |
| Pvap | 11.42 | kPa | 465.63 | Calculated Property |
| Pvap | 20.54 | kPa | 483.79 | Calculated Property |
| Pvap | 35.12 | kPa | 501.94 | Calculated Property |
| Pvap | 57.46 | kPa | 520.10 | Calculated Property |
| Pvap | 90.43 | kPa | 538.26 | Calculated Property |
| Pvap | 137.47 | kPa | 556.42 | Calculated Property |
| Pvap | 202.65 | kPa | 574.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,6,7-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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