- InChI
- InChI=1S/C15H16/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
- InChI Key
- HSHDPVRGPKOGME-UHFFFAOYSA-N
- Formula
- C15H16
- SMILES
- CCc1ccc(Cc2ccccc2)cc1
- Molecular Weight1
- 196.29
- CAS
- 620-85-9
- Other Names
-
- 1-Ethyl-4-benzylbenzene
- 4'-Ethyldiphenylmethane
- 4-Ethyldiphenylmethane
- Methane, (p-ethylphenyl)phenyl-
- p-Ethyldiphenylmethane
- 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).
- Pvap : Vapor 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 | 0.4846 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -8196.00 | kJ/mol | NIST |
| ΔfG° | 290.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 128.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 174.690 | ml/mol | McGowan Calculated Property |
| Pc | 2472.73 | kPa | Joback Calculated Property |
| Inp | 278.60 | NIST | |
| Tboil | [570.18; 570.18] | K |
|
| Tboil | 570.18 ± 0.30 | K | NIST |
| Tboil | 570.18 ± 0.30 | K | NIST |
| Tc | 786.81 | K | Relay (1.0) Calculated Property |
| Tfus | [249.15; 249.63] | K |
|
| Tfus | 249.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 249.63 ± 0.20 | K | NIST |
| Tfus | 249.63 ± 0.20 | K | NIST |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.73; 553.10] | 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 | -6.42580e+01 | |||
| Coefficient B | 1.21152e+00 | |||
| Coefficient C | -7.87560e-04 | |||
| Coefficient D | 1.93400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 329.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 377.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 419.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 454.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 485.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 511.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 534.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 553.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0095335; 0.0001744] | Pa×s | [249.47; 585.85] |
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 | -1.16214e+01 | |||
| Coefficient B | 1.73842e+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. | 249.47 | |||
| Temperature range, max. | 585.85 | |||
| η | 0.0095335 | Pa×s | 249.47 | Calculated Property |
| η | 0.0038453 | Pa×s | 286.85 | Calculated Property |
| η | 0.0019121 | Pa×s | 324.22 | Calculated Property |
| η | 0.0010986 | Pa×s | 361.60 | Calculated Property |
| η | 0.0007002 | Pa×s | 398.97 | Calculated Property |
| η | 0.0004821 | Pa×s | 436.35 | Calculated Property |
| η | 0.0003521 | Pa×s | 473.72 | Calculated Property |
| η | 0.0002692 | Pa×s | 511.10 | Calculated Property |
| η | 0.0002135 | Pa×s | 548.47 | Calculated Property |
| η | 0.0001744 | Pa×s | 585.85 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [425.71; 605.72] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46642e+01 | |||
| Coefficient B | -4.81793e+03 | |||
| Coefficient C | -9.05850e+01 | |||
| Temperature range, min. | 425.71 | |||
| Temperature range, max. | 605.72 | |||
| Pvap | 1.33 | kPa | 425.71 | Calculated Property |
| Pvap | 3.00 | kPa | 445.71 | Calculated Property |
| Pvap | 6.18 | kPa | 465.71 | Calculated Property |
| Pvap | 11.83 | kPa | 485.71 | Calculated Property |
| Pvap | 21.29 | kPa | 505.71 | Calculated Property |
| Pvap | 36.30 | kPa | 525.72 | Calculated Property |
| Pvap | 59.05 | kPa | 545.72 | Calculated Property |
| Pvap | 92.20 | kPa | 565.72 | Calculated Property |
| Pvap | 138.88 | kPa | 585.72 | Calculated Property |
| Pvap | 202.64 | kPa | 605.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-4-(phenylmethyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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