- InChI
- InChI=1S/C11H17N/c1-4-9-7-6-8(3)10(5-2)11(9)12/h6-7H,4-5,12H2,1-3H3
- InChI Key
- OXYMEFWXAVMOEB-UHFFFAOYSA-N
- Formula
- C11H17N
- SMILES
- CCc1ccc(C)c(CC)c1N
- Molecular Weight1
- 163.26
- CAS
- 67330-61-4
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5554 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.702 | Crippen Calculated Property | |
| McVol | 152.070 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | 1397.00 | NIST | |
| Tboil | 528.86 | K | Relay (1.0) Calculated Property |
| Tc | 743.23 | K | Relay (1.0) Calculated Property |
| Tfus | 292.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.28; 440.24] | J/mol×K | [565.23; 780.61] | 
|
| Cp,gas | 362.28 | J/mol×K | 565.23 | Joback Calculated Property |
| Cp,gas | 377.14 | J/mol×K | 601.13 | Joback Calculated Property |
| Cp,gas | 391.22 | J/mol×K | 637.02 | Joback Calculated Property |
| Cp,gas | 404.55 | J/mol×K | 672.92 | Joback Calculated Property |
| Cp,gas | 417.15 | J/mol×K | 708.82 | Joback Calculated Property |
| Cp,gas | 429.04 | J/mol×K | 744.71 | Joback Calculated Property |
| Cp,gas | 440.24 | J/mol×K | 780.61 | Joback Calculated Property |
Similar Compounds
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Sources
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