- InChI
- InChI=1S/C18H16/c1-14-7-9-16(10-8-14)18-12-11-17(13-18)15-5-3-2-4-6-15/h2-12H,13H2,1H3
- InChI Key
- SBTSZWISTFQAHI-UHFFFAOYSA-N
- Formula
- C18H16
- SMILES
- Cc1ccc(C2=CC=C(c3ccccc3)C2)cc1
- Molecular Weight1
- 232.32
- CAS
- 7144-81-2
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4272 | Relay (1.0) Calculated Property | |
| ΔfG° | 400.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 326.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.866 | Crippen Calculated Property | |
| McVol | 197.500 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| Tboil | 631.03 | K | Relay (1.0) Calculated Property |
| Tc | 863.58 | K | Relay (1.0) Calculated Property |
| Tfus | 309.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.03; 615.83] | 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 | -8.92500e+01 | |||
| Coefficient B | 1.42372e+00 | |||
| Coefficient C | -9.74040e-04 | |||
| Coefficient D | 2.55400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 232.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 303.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 366.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 420.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 467.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 507.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 570.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 594.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 615.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012120; 0.0001803] | Pa×s | [399.68; 670.45] |
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 | -1.14329e+01 | |||
| Coefficient B | 1.88545e+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. | 399.68 | |||
| Temperature range, max. | 670.45 | |||
| η | 0.0012120 | Pa×s | 399.68 | Calculated Property |
| η | 0.0008711 | Pa×s | 429.77 | Calculated Property |
| η | 0.0006538 | Pa×s | 459.85 | Calculated Property |
| η | 0.0005083 | Pa×s | 489.94 | Calculated Property |
| η | 0.0004068 | Pa×s | 520.02 | Calculated Property |
| η | 0.0003336 | Pa×s | 550.11 | Calculated Property |
| η | 0.0002793 | Pa×s | 580.19 | Calculated Property |
| η | 0.0002380 | Pa×s | 610.28 | Calculated Property |
| η | 0.0002058 | Pa×s | 640.36 | Calculated Property |
| η | 0.0001803 | Pa×s | 670.45 | Calculated Property |
Similar Compounds
Find more compounds similar to C18H16.
Sources
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