- InChI
- InChI=1S/C7H15N/c1-2-4-7-5-3-6-8-7/h7-8H,2-6H2,1H3
- InChI Key
- ICALDHCMXFGLBN-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- CCCC1CCCN1
- Molecular Weight1
- 113.20
- 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 | 0.3565 | Relay (1.0) Calculated Property | |
| ΔfG° | 132.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.538 | Crippen Calculated Property | |
| McVol | 108.610 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Inp | 916.00 | NIST | |
| Tboil | 420.19 | K | Relay (1.0) Calculated Property |
| Tc | 622.12 | K | Relay (1.0) Calculated Property |
| Tfus | 213.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.86; 394.98] | 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 | -4.70380e+01 | |||
| Coefficient B | 7.87120e-01 | |||
| Coefficient C | -4.23800e-04 | |||
| Coefficient D | 7.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 137.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 221.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 256.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 288.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 315.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 340.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 361.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 379.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 394.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyl-pyrrolidine.
Sources
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