- InChI
- InChI=1S/C12H16/c1-10(12(2,3)4)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3
- InChI Key
- OJHQXSRIBZMCSR-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- C=C(c1ccccc1)C(C)(C)C
- Molecular Weight1
- 160.26
- CAS
- 5676-29-9
- Other Names
-
- Styrene, «alpha»-tert-butyl-
- «alpha»-tert-Butylstyrene
- 1-tert-Butyl-1-phenylethylene
- 3,3-Dimethyl-2-phenylbutene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| PAff | 859.20 | kJ/mol | NIST |
| BasG | 830.30 | kJ/mol | NIST |
| ΔfG° | 244.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 52.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.20 ± 0.10 | kJ/mol | NIST |
| IE | 8.25 ± 0.04 | eV | NIST |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 3.746 | Crippen Calculated Property | |
| McVol | 151.880 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Tboil | 493.97 | K | Joback Calculated Property |
| Tc | 715.24 | K | Joback Calculated Property |
| Tfus | 238.12 | K | Joback Calculated Property |
| Vc | 0.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.94; 420.52] | J/mol×K | [493.97; 715.24] | 
|
| Cp,gas | 329.94 | J/mol×K | 493.97 | Joback Calculated Property |
| Cp,gas | 347.93 | J/mol×K | 530.85 | Joback Calculated Property |
| Cp,gas | 364.66 | J/mol×K | 567.73 | Joback Calculated Property |
| Cp,gas | 380.21 | J/mol×K | 604.60 | Joback Calculated Property |
| Cp,gas | 394.66 | J/mol×K | 641.48 | Joback Calculated Property |
| Cp,gas | 408.07 | J/mol×K | 678.36 | Joback Calculated Property |
| Cp,gas | 420.52 | J/mol×K | 715.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2,2-dimethyl-1-methylenepropyl)-.
Sources
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