- InChI
- InChI=1S/C13H14/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2/h4-9H,3H2,1-2H3
- InChI Key
- OKUXCOASJUSADT-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- CCc1cc2ccccc2cc1C
- Molecular Weight1
- 170.25
- CAS
- 31032-94-7
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4880 | KDB | |
| ΔfG° | 258.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 81.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 150.810 | ml/mol | McGowan Calculated Property |
| Pc | 2710.00 | kPa | KDB |
| Tboil | 550.20 | K | KDB |
| Tc | 776.40 | K | KDB |
| Tfus | 344.00 | K | KDB |
| Vc | 0.578 | m3/kmol | KDB |
| Zc | 0.2424370 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.11; 474.62] | 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 | -4.56790e+01 | |||
| Coefficient B | 1.03724e+00 | |||
| Coefficient C | -7.17240e-04 | |||
| Coefficient D | 2.00300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 240.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 325.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 360.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 389.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 415.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 437.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 457.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 474.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010377; 0.0002985] | Pa×s | [344.00; 543.48] |
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 | -1.02657e+01 | |||
| Coefficient B | 1.16786e+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. | 344.00 | |||
| Temperature range, max. | 543.48 | |||
| η | 0.0010377 | Pa×s | 344.00 | Calculated Property |
| η | 0.0008449 | Pa×s | 366.16 | Calculated Property |
| η | 0.0007043 | Pa×s | 388.33 | Calculated Property |
| η | 0.0005987 | Pa×s | 410.49 | Calculated Property |
| η | 0.0005175 | Pa×s | 432.66 | Calculated Property |
| η | 0.0004537 | Pa×s | 454.82 | Calculated Property |
| η | 0.0004027 | Pa×s | 476.99 | Calculated Property |
| η | 0.0003612 | Pa×s | 499.15 | Calculated Property |
| η | 0.0003270 | Pa×s | 521.32 | Calculated Property |
| η | 0.0002985 | Pa×s | 543.48 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-ethyl-3-methylnaphthalene.
Sources
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