- InChI
- InChI=1S/C17H20/c1-2-3-11-16-12-7-8-13-17(16)14-15-9-5-4-6-10-15/h4-10,12-13H,2-3,11,14H2,1H3
- InChI Key
- LVCJZVGIIMAVDI-UHFFFAOYSA-N
- Formula
- C17H20
- SMILES
- CCCCc1ccccc1Cc1ccccc1
- Molecular Weight1
- 224.35
- 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).
- 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 | 0.5590 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -9519.00 | kJ/mol | NIST |
| ΔfG° | 307.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.620 | Crippen Calculated Property | |
| McVol | 202.870 | ml/mol | McGowan Calculated Property |
| Pc | 2060.49 | kPa | Joback Calculated Property |
| Tboil | 601.78 | K | Relay (1.0) Calculated Property |
| Tc | 801.36 | K | Relay (1.0) Calculated Property |
| Tfus | 262.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.760 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.15; 656.28] | 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 | -6.60760e+01 | |||
| Coefficient B | 1.40152e+00 | |||
| Coefficient C | -8.96360e-04 | |||
| Coefficient D | 2.17200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 254.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 391.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 447.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 496.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 539.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 575.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 606.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 633.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 656.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017845; 0.0001609] | Pa×s | [346.71; 611.46] |
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 | -1.18858e+01 | |||
| Coefficient B | 1.92674e+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. | 346.71 | |||
| Temperature range, max. | 611.46 | |||
| η | 0.0017845 | Pa×s | 346.71 | Calculated Property |
| η | 0.0011555 | Pa×s | 376.13 | Calculated Property |
| η | 0.0007969 | Pa×s | 405.54 | Calculated Property |
| η | 0.0005779 | Pa×s | 434.96 | Calculated Property |
| η | 0.0004365 | Pa×s | 464.38 | Calculated Property |
| η | 0.0003409 | Pa×s | 493.79 | Calculated Property |
| η | 0.0002738 | Pa×s | 523.21 | Calculated Property |
| η | 0.0002250 | Pa×s | 552.62 | Calculated Property |
| η | 0.0001887 | Pa×s | 582.04 | Calculated Property |
| η | 0.0001609 | Pa×s | 611.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butyldiphenylmethane.
Sources
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