- InChI
- InChI=1S/C13H14/c1-9-4-5-12-7-10(2)6-11(3)13(12)8-9/h4-8H,1-3H3
- InChI Key
- HXDVFWJRDVUZFT-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- Cc1cc(C)c2cc(C)ccc2c1
- Molecular Weight1
- 170.25
- CAS
- 2131-38-6
- Other Names
-
- 1,3,7-trimethyl-naphthalene
- 1,3,7-trimethylnaphthalene
- 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).
- 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 |
|---|---|---|---|
| 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 | [259.20; 1503.00] |
|
|
| Inp | 1502.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 260.55 | NIST | |
| Inp | 260.98 | NIST | |
| Inp | 261.30 | NIST | |
| Inp | 259.22 | NIST | |
| Inp | 259.20 | NIST | |
| Inp | 261.50 | NIST | |
| Inp | 259.20 | NIST | |
| Tboil | 557.44 | K | Joback Calculated Property |
| Tc | 785.77 | K | Joback Calculated Property |
| Tfus | 286.65 ± 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [409.15; 574.87] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56879e+01 | |||
| Coefficient B | -5.27117e+03 | |||
| Coefficient C | -6.68740e+01 | |||
| Temperature range, min. | 409.15 | |||
| Temperature range, max. | 574.87 | |||
| Pvap | 1.33 | kPa | 409.15 | Calculated Property |
| Pvap | 2.93 | kPa | 427.56 | Calculated Property |
| Pvap | 5.95 | kPa | 445.98 | Calculated Property |
| Pvap | 11.33 | kPa | 464.39 | Calculated Property |
| Pvap | 20.38 | kPa | 482.80 | Calculated Property |
| Pvap | 34.88 | kPa | 501.22 | Calculated Property |
| Pvap | 57.14 | kPa | 519.63 | Calculated Property |
| Pvap | 90.06 | kPa | 538.04 | Calculated Property |
| Pvap | 137.18 | kPa | 556.46 | Calculated Property |
| Pvap | 202.66 | kPa | 574.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,3,7-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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