- InChI
- InChI=1S/C16H16/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-11H,3H2,1-2H3
- InChI Key
- HEDMCKGHZIRQLS-UHFFFAOYSA-N
- Formula
- C16H16
- SMILES
- C=C(c1ccc(C)cc1)c1ccc(C)cc1
- Molecular Weight1
- 208.30
- CAS
- 2919-20-2
- Other Names
-
- 1,1-di(p-Tolyl)ethylene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5259 | Relay (1.0) Calculated Property | |
| PAff | 900.20 | kJ/mol | NIST |
| BasG | 871.40 | kJ/mol | NIST |
| ΔcH°solid | [-8668.70; -8522.00] | kJ/mol |
|
| ΔcH°solid | -8668.70 ± 2.00 | kJ/mol | NIST |
| ΔcH°solid | -8522.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 368.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 205.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.91 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 101.00 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 79.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.365 | Crippen Calculated Property | |
| McVol | 184.480 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Tboil | 591.79 | K | Relay (1.0) Calculated Property |
| Tc | 820.26 | K | Relay (1.0) Calculated Property |
| Tfus | 307.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 23.31 | kJ/mol | 334.10 | NIST |
| ΔsubH | 100.30 ± 1.40 | kJ/mol | 320.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 408.00 ± 1.00 | K | 0.08 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.83; 572.87] | 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 | -5.35500e+01 | |||
| Coefficient B | 1.22694e+00 | |||
| Coefficient C | -8.00120e-04 | |||
| Coefficient D | 1.99600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 225.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 289.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 344.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 393.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 435.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 472.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 503.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 530.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 553.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 572.87 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-ethenylidenebis-[4-methyl-.
Sources
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