- InChI
- InChI=1S/C13H14/c1-3-11-7-5-9-12-8-4-6-10(2)13(11)12/h4-9H,3H2,1-2H3
- InChI Key
- BWLHVWLTADBTFB-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- CCc1cccc2cccc(C)c12
- Molecular Weight1
- 170.25
- CAS
- 61886-71-3
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4509 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -7142.10 ± 1.10 | kJ/mol | NIST |
| ΔfG° | 258.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 98.10 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | 26.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 19.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.10 | kJ/mol | NIST |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 150.810 | ml/mol | McGowan Calculated Property |
| Pc | 2712.67 | kPa | Joback Calculated Property |
| Tboil | 541.31 | K | Relay (1.0) Calculated Property |
| Tc | 778.39 | K | Relay (1.0) Calculated Property |
| Tfus | 279.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
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 | [0.0013320; 0.0002955] | Pa×s | [320.43; 545.98] |
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 | |||
| Temperature range, min. | 320.43 | |||
| Temperature range, max. | 545.98 | |||
| η | 0.0013320 | Pa×s | 320.43 | Calculated Property |
| η | 0.0010226 | Pa×s | 345.49 | Calculated Property |
| η | 0.0008136 | Pa×s | 370.55 | Calculated Property |
| η | 0.0006664 | Pa×s | 395.61 | Calculated Property |
| η | 0.0005589 | Pa×s | 420.67 | Calculated Property |
| η | 0.0004781 | Pa×s | 445.74 | Calculated Property |
| η | 0.0004159 | Pa×s | 470.80 | Calculated Property |
| η | 0.0003669 | Pa×s | 495.86 | Calculated Property |
| η | 0.0003276 | Pa×s | 520.92 | Calculated Property |
| η | 0.0002955 | Pa×s | 545.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethyl-8-methylnaphthalene.
Sources
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