- InChI
- InChI=1S/C11H17N/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8,12H,1-4H3
- InChI Key
- VPSMEEGFQMCUTH-UHFFFAOYSA-N
- Formula
- C11H17N
- SMILES
- CNc1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 163.26
- CAS
- 5279-59-4
- 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 | 0.4575 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -21.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.026 | Crippen Calculated Property | |
| McVol | 152.070 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Tboil | 517.34 | K | Relay (1.0) Calculated Property |
| Tc | 743.95 | K | Relay (1.0) Calculated Property |
| Tfus | 287.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.99; 439.56] | J/mol×K | [529.68; 747.19] | 
|
| Cp,gas | 353.99 | J/mol×K | 529.68 | Joback Calculated Property |
| Cp,gas | 370.79 | J/mol×K | 565.93 | Joback Calculated Property |
| Cp,gas | 386.49 | J/mol×K | 602.18 | Joback Calculated Property |
| Cp,gas | 401.16 | J/mol×K | 638.44 | Joback Calculated Property |
| Cp,gas | 414.86 | J/mol×K | 674.69 | Joback Calculated Property |
| Cp,gas | 427.64 | J/mol×K | 710.94 | Joback Calculated Property |
| Cp,gas | 439.56 | J/mol×K | 747.19 | Joback Calculated Property |
Similar Compounds
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)
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