- InChI
- InChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/t14-/m1/s1
- InChI Key
- PDINXYLAVFUHSA-CQSZACIVSA-N
- Formula
- C16H18
- SMILES
- CC(CCc1ccccc1)c1ccccc1
- Molecular Weight1
- 210.31
- CAS
- 17293-55-9
- 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 | 0.4588 | Relay (1.0) Calculated Property | |
| ΔfG° | 306.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 112.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.423 | Crippen Calculated Property | |
| McVol | 188.780 | ml/mol | McGowan Calculated Property |
| Pc | 2302.53 | kPa | Joback Calculated Property |
| Tboil | 566.89 | K | Relay (1.0) Calculated Property |
| Tc | 804.87 | K | Relay (1.0) Calculated Property |
| Tfus | 253.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.07; 608.27] | 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 | -8.11480e+01 | |||
| Coefficient B | 1.37192e+00 | |||
| Coefficient C | -9.12200e-04 | |||
| Coefficient D | 2.29700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 230.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 361.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 415.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 461.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 500.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 534.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 563.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 587.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 608.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032193; 0.0001563] | Pa×s | [307.92; 597.57] |
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 | -1.19794e+01 | |||
| Coefficient B | 1.92166e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 307.92 | |||
| Temperature range, max. | 597.57 | |||
| η | 0.0032193 | Pa×s | 307.92 | Calculated Property |
| η | 0.0017836 | Pa×s | 340.10 | Calculated Property |
| η | 0.0010943 | Pa×s | 372.29 | Calculated Property |
| η | 0.0007257 | Pa×s | 404.47 | Calculated Property |
| η | 0.0005113 | Pa×s | 436.65 | Calculated Property |
| η | 0.0003780 | Pa×s | 468.84 | Calculated Property |
| η | 0.0002905 | Pa×s | 501.02 | Calculated Property |
| η | 0.0002305 | Pa×s | 533.20 | Calculated Property |
| η | 0.0001877 | Pa×s | 565.39 | Calculated Property |
| η | 0.0001563 | Pa×s | 597.57 | Calculated Property |
Similar Compounds
Find more compounds similar to C16H18.
Sources
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