- InChI
- InChI=1S/C13H18/c1-11(2)5-4-6-13-9-7-12(3)8-10-13/h7-10H,1,4-6H2,2-3H3
- InChI Key
- FWKCKIWOJXTRFG-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- C=C(C)CCCc1ccc(C)cc1
- Molecular Weight1
- 174.29
- Other Names
-
- 1-methyl-4-(4-methyl-4-pentenyl)benzene
- 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).
- 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 | 0.4711 | Relay (1.0) Calculated Property | |
| ΔfG° | 240.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 19.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.894 | Crippen Calculated Property | |
| McVol | 165.970 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Tboil | 517.70 | K | Relay (1.0) Calculated Property |
| Tc | 709.32 | K | Relay (1.0) Calculated Property |
| Tfus | 232.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.620 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.90; 539.66] | 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 | -3.12170e+01 | |||
| Coefficient B | 1.08034e+00 | |||
| Coefficient C | -6.72760e-04 | |||
| Coefficient D | 1.63300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 324.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 369.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 408.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 442.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 472.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 497.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 520.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 539.66 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-4-(4-methyl-4-pentenyl)-.
Sources
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