- InChI
- InChI=1S/C8H17N/c1-7(2)6-8-4-3-5-9-8/h7-9H,3-6H2,1-2H3
- InChI Key
- GNUABXXBKUNKNU-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- CC(C)CC1CCCN1
- Molecular Weight1
- 127.23
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 138.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 1.785 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Inp | [981.00; 981.00] |
|
|
| Inp | 981.00 | NIST | |
| Inp | 981.00 | NIST | |
| Tboil | 445.83 | K | Joback Calculated Property |
| Tc | 651.36 | K | Joback Calculated Property |
| Tfus | 280.85 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.58; 349.46] | J/mol×K | [445.83; 651.36] |
|
| Cp,gas | 258.58 | J/mol×K | 445.83 | Joback Calculated Property |
| Cp,gas | 275.72 | J/mol×K | 480.09 | Joback Calculated Property |
| Cp,gas | 292.03 | J/mol×K | 514.34 | Joback Calculated Property |
| Cp,gas | 307.54 | J/mol×K | 548.60 | Joback Calculated Property |
| Cp,gas | 322.27 | J/mol×K | 582.85 | Joback Calculated Property |
| Cp,gas | 336.23 | J/mol×K | 617.11 | Joback Calculated Property |
| Cp,gas | 349.46 | J/mol×K | 651.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isobutyl-pyrrolidine.
Sources
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