- 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-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- Ip : 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 |
|---|---|---|---|
| ω | 0.4679 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 72.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | 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 | [265.58; 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 | 266.94 | NIST | |
| Inp | 267.50 | NIST | |
| Inp | 267.54 | NIST | |
| Inp | 266.50 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Ip | [2182.00; 2182.00] |
|
|
| Ip | 2182.00 | NIST | |
| Ip | 2182.00 | NIST | |
| Tboil | 554.47 | K | Relay (1.0) Calculated Property |
| Tc | 796.53 | K | Relay (1.0) Calculated Property |
| Tfus | 298.65 ± 0.50 | K | NIST |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| 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 | [0.0016078; 0.0002909] | Pa×s | [298.65; 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. | 298.65 | |||
| Temperature range, max. | 550.24 | |||
| η | 0.0016078 | Pa×s | 298.65 | Calculated Property |
| η | 0.0011675 | Pa×s | 326.60 | Calculated Property |
| η | 0.0008917 | Pa×s | 354.56 | Calculated Property |
| η | 0.0007083 | Pa×s | 382.51 | Calculated Property |
| η | 0.0005806 | Pa×s | 410.47 | Calculated Property |
| η | 0.0004882 | Pa×s | 438.42 | Calculated Property |
| η | 0.0004191 | Pa×s | 466.37 | Calculated Property |
| η | 0.0003660 | Pa×s | 494.33 | Calculated Property |
| η | 0.0003243 | Pa×s | 522.28 | Calculated Property |
| η | 0.0002909 | Pa×s | 550.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [411.15; 574.58] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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