- InChI
- InChI=1S/C16H14/c1-11-9-12(2)14-8-7-13-5-3-4-6-15(13)16(14)10-11/h3-10H,1-2H3
- InChI Key
- UJUUQKOWULNFNG-UHFFFAOYSA-N
- Formula
- C16H14
- SMILES
- Cc1cc(C)c2ccc3ccccc3c2c1
- Molecular Weight1
- 206.28
- CAS
- 16664-45-2
- Other Names
-
- 1,3-dimethylphenanthrene
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5097 | Relay (1.0) Calculated Property | |
| ΔfG° | 380.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 161.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.610 | Crippen Calculated Property | |
| McVol | 173.620 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [339.65; 2011.00] |
|
|
| Inp | Outlier 2011.00 | NIST | |
| Inp | 340.79 | NIST | |
| Inp | 341.75 | NIST | |
| Inp | 341.40 | NIST | |
| Inp | 340.00 | NIST | |
| Inp | 339.65 | NIST | |
| Inp | 340.60 | NIST | |
| Inp | 341.50 | NIST | |
| Inp | 340.79 | NIST | |
| Tboil | 640.60 | K | Relay (1.0) Calculated Property |
| Tc | 895.52 | K | Relay (1.0) Calculated Property |
| Tfus | 346.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.30; 535.57] | 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 | -6.55500e+01 | |||
| Coefficient B | 1.25904e+00 | |||
| Coefficient C | -9.50120e-04 | |||
| Coefficient D | 2.92200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 370.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 409.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 441.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 470.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 494.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 515.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 535.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012344; 0.0004590] | Pa×s | [399.46; 622.96] |
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 | -9.45473e+00 | |||
| Coefficient B | 1.10152e+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. | 399.46 | |||
| Temperature range, max. | 622.96 | |||
| η | 0.0012344 | Pa×s | 399.46 | Calculated Property |
| η | 0.0010504 | Pa×s | 424.29 | Calculated Property |
| η | 0.0009099 | Pa×s | 449.13 | Calculated Property |
| η | 0.0008002 | Pa×s | 473.96 | Calculated Property |
| η | 0.0007128 | Pa×s | 498.79 | Calculated Property |
| η | 0.0006419 | Pa×s | 523.63 | Calculated Property |
| η | 0.0005836 | Pa×s | 548.46 | Calculated Property |
| η | 0.0005350 | Pa×s | 573.29 | Calculated Property |
| η | 0.0004939 | Pa×s | 598.13 | Calculated Property |
| η | 0.0004590 | Pa×s | 622.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenanthrene, 1,3-dimethyl-.
Sources
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