- InChI
- InChI=1S/C14H20/c1-10-7-11(2)9-13(8-10)12(3)14(4,5)6/h7-9H,3H2,1-2,4-6H3
- InChI Key
- CQFFVDLHNWWRNM-UHFFFAOYSA-N
- Formula
- C14H20
- SMILES
- C=C(c1cc(C)cc(C)c1)C(C)(C)C
- Molecular Weight1
- 188.31
- CAS
- 146558-41-0
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.4277 | Relay (1.0) Calculated Property | |
| PAff | 874.30 | kJ/mol | NIST |
| BasG | 845.50 | kJ/mol | NIST |
| ΔfG° | 242.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.363 | Crippen Calculated Property | |
| McVol | 180.060 | ml/mol | McGowan Calculated Property |
| Pc | 2075.54 | kPa | Joback Calculated Property |
| Tboil | 511.43 | K | Relay (1.0) Calculated Property |
| Tc | 716.02 | K | Relay (1.0) Calculated Property |
| Tfus | 276.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.78; 520.54] | J/mol×K | [549.69; 765.90] | 
|
| Cp,gas | 425.78 | J/mol×K | 549.69 | Joback Calculated Property |
| Cp,gas | 444.23 | J/mol×K | 585.72 | Joback Calculated Property |
| Cp,gas | 461.54 | J/mol×K | 621.76 | Joback Calculated Property |
| Cp,gas | 477.76 | J/mol×K | 657.79 | Joback Calculated Property |
| Cp,gas | 492.96 | J/mol×K | 693.83 | Joback Calculated Property |
| Cp,gas | 507.20 | J/mol×K | 729.86 | Joback Calculated Property |
| Cp,gas | 520.54 | J/mol×K | 765.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3,5-dimethyl-.
Sources
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