- InChI
- InChI=1S/C7H15N/c1-6-3-4-8-7(2)5-6/h6-8H,3-5H2,1-2H3
- InChI Key
- QOZOFODNIBQPGN-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- CC1CCNC(C)C1
- Molecular Weight1
- 113.20
- CAS
- 6287-19-0
- 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).
- 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 | 0.3105 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.394 | Crippen Calculated Property | |
| McVol | 108.610 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Inp | [885.00; 885.00] |
|
|
| Inp | 885.00 | NIST | |
| Inp | 885.00 | NIST | |
| Tboil | 410.32 | K | Relay (1.0) Calculated Property |
| Tc | 610.20 | K | Relay (1.0) Calculated Property |
| Tfus | 222.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.23; 403.42] | 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 | -4.62200e+01 | |||
| Coefficient B | 7.51040e-01 | |||
| Coefficient C | -3.22000e-04 | |||
| Coefficient D | 2.06000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 221.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 258.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 291.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 321.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 346.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 369.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 388.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 403.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl piperidine.
Sources
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