- InChI
- InChI=1S/C14H16/c1-9-5-6-10(2)14-8-12(4)11(3)7-13(9)14/h5-8H,1-4H3
- InChI Key
- VPSPONOBLZCLIU-UHFFFAOYSA-N
- Formula
- C14H16
- SMILES
- Cc1cc2c(C)ccc(C)c2cc1C
- Molecular Weight1
- 184.28
- CAS
- 13764-18-6
- 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).
- 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 | 0.5131 | Relay (1.0) Calculated Property | |
| ΔfG° | 247.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.073 | Crippen Calculated Property | |
| McVol | 164.900 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Tboil | 571.41 | K | Relay (1.0) Calculated Property |
| Tc | 803.65 | K | Relay (1.0) Calculated Property |
| Tfus | 389.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.42; 520.13] | 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 | -1.79900e+01 | |||
| Coefficient B | 1.01328e+00 | |||
| Coefficient C | -6.37560e-04 | |||
| Coefficient D | 1.62400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 267.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 315.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 357.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 426.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 454.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 479.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 500.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 520.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009613; 0.0002875] | Pa×s | [356.74; 567.46] |
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 | -1.01975e+01 | |||
| Coefficient B | 1.15950e+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. | 356.74 | |||
| Temperature range, max. | 567.46 | |||
| η | 0.0009613 | Pa×s | 356.74 | Calculated Property |
| η | 0.0007869 | Pa×s | 380.15 | Calculated Property |
| η | 0.0006593 | Pa×s | 403.57 | Calculated Property |
| η | 0.0005632 | Pa×s | 426.98 | Calculated Property |
| η | 0.0004890 | Pa×s | 450.39 | Calculated Property |
| η | 0.0004306 | Pa×s | 473.81 | Calculated Property |
| η | 0.0003837 | Pa×s | 497.22 | Calculated Property |
| η | 0.0003455 | Pa×s | 520.64 | Calculated Property |
| η | 0.0003139 | Pa×s | 544.05 | Calculated Property |
| η | 0.0002875 | Pa×s | 567.46 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [438.33; 590.03] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.63870e+01 | |||
| Coefficient B | -5.38420e+03 | |||
| Coefficient C | -1.03895e+02 | |||
| Temperature range, min. | 438.33 | |||
| Temperature range, max. | 590.03 | |||
| Pvap | 1.33 | kPa | 438.33 | Calculated Property |
| Pvap | 2.89 | kPa | 455.19 | Calculated Property |
| Pvap | 5.82 | kPa | 472.04 | Calculated Property |
| Pvap | 11.05 | kPa | 488.90 | Calculated Property |
| Pvap | 19.86 | kPa | 505.75 | Calculated Property |
| Pvap | 34.06 | kPa | 522.61 | Calculated Property |
| Pvap | 56.02 | kPa | 539.46 | Calculated Property |
| Pvap | 88.78 | kPa | 556.32 | Calculated Property |
| Pvap | 136.14 | kPa | 573.17 | Calculated Property |
| Pvap | 202.65 | kPa | 590.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4,6,7-tetramethylnaphthalene.
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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