- InChI
- InChI=1S/C7H15N/c1-7(2)3-5-8-6-4-7/h8H,3-6H2,1-2H3
- InChI Key
- IECMOFZIMWVOAS-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- CC1(C)CCNCC1
- Molecular Weight1
- 113.20
- CAS
- 4045-30-1
- Other Names
-
- Piperidine, 4,4-dimethyl-
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3032 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.396 | Crippen Calculated Property | |
| McVol | 108.610 | ml/mol | McGowan Calculated Property |
| Pc | 3834.03 | kPa | Joback Calculated Property |
| Inp | 882.00 | NIST | |
| Tboil | 418.70 | K | NIST |
| Tc | 611.49 | K | Relay (1.0) Calculated Property |
| Tfus | 259.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.369 | 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 304.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.04; 404.09] | 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 | -1.02150e+02 | |||
| Coefficient B | 1.06944e+00 | |||
| Coefficient C | -9.10000e-04 | |||
| Coefficient D | 3.46800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 129.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 219.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 254.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 285.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 312.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 336.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 359.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 381.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 404.09 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-Dimethyl-piperidine.
Sources
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