- InChI
- InChI=1S/C17H18/c1-15(17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-7,10-11,13-14H,1,8-9,12H2
- InChI Key
- GCIYECAFBPPBRX-UHFFFAOYSA-N
- Formula
- C17H18
- SMILES
- C=C(CCCc1ccccc1)c1ccccc1
- Molecular Weight1
- 222.32
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.5306 | Relay (1.0) Calculated Property | |
| ΔfG° | 396.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 217.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.723 | Crippen Calculated Property | |
| McVol | 198.570 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | [1900.00; 1900.00] |
|
|
| Inp | 1900.00 | NIST | |
| Inp | 1900.00 | NIST | |
| Tboil | 590.88 | K | Relay (1.0) Calculated Property |
| Tc | 828.66 | K | Relay (1.0) Calculated Property |
| Tfus | 279.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.95; 630.54] | 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 | -8.30570e+01 | |||
| Coefficient B | 1.44090e+00 | |||
| Coefficient C | -9.88600e-04 | |||
| Coefficient D | 2.61300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 241.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 314.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 377.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 432.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 479.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 520.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 554.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 584.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 609.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 630.54 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-diphenyl-1-pentene.
Sources
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