- InChI
- InChI=1S/C15H16/c1-2-13-9-6-10-15(11-13)12-14-7-4-3-5-8-14/h3-11H,2,12H2,1H3
- InChI Key
- DITPGLQNHCMPAK-UHFFFAOYSA-N
- Formula
- C15H16
- SMILES
- CCc1cccc(Cc2ccccc2)c1
- Molecular Weight1
- 196.29
- CAS
- 28122-24-9
- Other Names
-
- 1-Benzyl-3-ethylbenzene
- 3-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 | 0.4806 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -8196.00 | kJ/mol | NIST |
| ΔfG° | 290.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 126.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | 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 | 274.70 | NIST | |
| Tboil | 564.69 ± 0.30 | K | NIST |
| Tc | 786.76 | K | Relay (1.0) Calculated Property |
| Tfus | 263.93 ± 0.20 | K | NIST |
| Vc | 0.661 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.35; 511.34] | J/mol×K | [600.94; 836.65] | 
|
| Cp,gas | 421.35 | J/mol×K | 600.94 | Joback Calculated Property |
| Cp,gas | 439.33 | J/mol×K | 640.22 | Joback Calculated Property |
| Cp,gas | 456.02 | J/mol×K | 679.51 | Joback Calculated Property |
| Cp,gas | 471.49 | J/mol×K | 718.79 | Joback Calculated Property |
| Cp,gas | 485.83 | J/mol×K | 758.08 | Joback Calculated Property |
| Cp,gas | 499.09 | J/mol×K | 797.36 | Joback Calculated Property |
| Cp,gas | 511.34 | J/mol×K | 836.65 | Joback Calculated Property |
| η | [0.0001619; 0.0019137] | Pa×s | [324.17; 600.94] |
|
| η | 0.0019137 | Pa×s | 324.17 | Joback Calculated Property |
| η | 0.0009812 | Pa×s | 370.30 | Joback Calculated Property |
| η | 0.0005833 | Pa×s | 416.43 | Joback Calculated Property |
| η | 0.0003847 | Pa×s | 462.55 | Joback Calculated Property |
| η | 0.0002736 | Pa×s | 508.68 | Joback Calculated Property |
| η | 0.0002059 | Pa×s | 554.81 | Joback Calculated Property |
| η | 0.0001619 | Pa×s | 600.94 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [421.58; 599.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46666e+01 | |||
| Coefficient B | -4.77442e+03 | |||
| Coefficient C | -8.95420e+01 | |||
| Temperature range, min. | 421.58 | |||
| Temperature range, max. | 599.89 | |||
| Pvap | 1.33 | kPa | 421.58 | Calculated Property |
| Pvap | 3.00 | kPa | 441.39 | Calculated Property |
| Pvap | 6.17 | kPa | 461.20 | Calculated Property |
| Pvap | 11.83 | kPa | 481.02 | Calculated Property |
| Pvap | 21.29 | kPa | 500.83 | Calculated Property |
| Pvap | 36.29 | kPa | 520.64 | Calculated Property |
| Pvap | 59.04 | kPa | 540.45 | Calculated Property |
| Pvap | 92.19 | kPa | 560.27 | Calculated Property |
| Pvap | 138.87 | kPa | 580.08 | Calculated Property |
| Pvap | 202.63 | kPa | 599.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-3-(phenylmethyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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