- InChI
- InChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3
- InChI Key
- FSAWRQYDMHSDRN-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- Cc1ccc(C)c2c(C)cccc12
- Molecular Weight1
- 170.25
- CAS
- 2131-41-1
- Other Names
-
- 1,4,5-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 | 0.4657 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 71.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Aq. Solubility Prediction | |
| logPoct/wat | 3.765 | Crippen Calculated Property | |
| McVol | 150.810 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [273.18; 273.18] |
|
|
| Inp | 273.18 | NIST | |
| Inp | 273.18 | NIST | |
| Tboil | 545.35 | K | Relay (1.0) Calculated Property |
| Tc | 791.08 | K | Relay (1.0) Calculated Property |
| Tfus | 337.15 ± 0.60 | K | NIST |
| Vc | 0.567 | 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 | [0.0010491; 0.0002909] | Pa×s | [337.15; 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. | 337.15 | |||
| Temperature range, max. | 550.24 | |||
| η | 0.0010491 | Pa×s | 337.15 | Calculated Property |
| η | 0.0008442 | Pa×s | 360.83 | Calculated Property |
| η | 0.0006977 | Pa×s | 384.50 | Calculated Property |
| η | 0.0005896 | Pa×s | 408.18 | Calculated Property |
| η | 0.0005074 | Pa×s | 431.85 | Calculated Property |
| η | 0.0004436 | Pa×s | 455.53 | Calculated Property |
| η | 0.0003930 | Pa×s | 479.21 | Calculated Property |
| η | 0.0003522 | Pa×s | 502.88 | Calculated Property |
| η | 0.0003187 | Pa×s | 526.56 | Calculated Property |
| η | 0.0002909 | Pa×s | 550.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [415.15; 573.25] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58910e+01 | |||
| Coefficient B | -5.19492e+03 | |||
| Coefficient C | -8.22140e+01 | |||
| Temperature range, min. | 415.15 | |||
| Temperature range, max. | 573.25 | |||
| Pvap | 1.33 | kPa | 415.15 | Calculated Property |
| Pvap | 2.91 | kPa | 432.72 | Calculated Property |
| Pvap | 5.91 | kPa | 450.28 | Calculated Property |
| Pvap | 11.24 | kPa | 467.85 | Calculated Property |
| Pvap | 20.22 | kPa | 485.42 | Calculated Property |
| Pvap | 34.63 | kPa | 502.98 | Calculated Property |
| Pvap | 56.80 | kPa | 520.55 | Calculated Property |
| Pvap | 89.67 | kPa | 538.12 | Calculated Property |
| Pvap | 136.86 | kPa | 555.68 | Calculated Property |
| Pvap | 202.64 | kPa | 573.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,4,5-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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