- InChI
- InChI=1S/C8H15N/c1-7(2)6-8-4-3-5-9-8/h7H,3-6H2,1-2H3
- InChI Key
- HHQRWQQRDCVPQH-UHFFFAOYSA-N
- Formula
- C8H15N
- SMILES
- CC(C)CC1=NCCC1
- Molecular Weight1
- 125.21
- 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).
- I : 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° | 195.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -15.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.74 | kJ/mol | Joback Calculated Property |
| log10WS | -1.99 | Crippen Calculated Property | |
| logPoct/wat | 2.267 | Crippen Calculated Property | |
| McVol | 118.400 | ml/mol | McGowan Calculated Property |
| Pc | 3291.59 | kPa | Joback Calculated Property |
| I | [975.00; 975.00] |
|
|
| I | 975.00 | NIST | |
| I | 975.00 | NIST | |
| Tboil | 459.79 | K | Joback Calculated Property |
| Tc | 673.48 | K | Joback Calculated Property |
| Tfus | 264.88 | K | Joback Calculated Property |
| Vc | 0.455 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.69; 346.79] | J/mol×K | [459.79; 673.48] |
|
| Cp,gas | 258.69 | J/mol×K | 459.79 | Joback Calculated Property |
| Cp,gas | 275.46 | J/mol×K | 495.41 | Joback Calculated Property |
| Cp,gas | 291.37 | J/mol×K | 531.02 | Joback Calculated Property |
| Cp,gas | 306.44 | J/mol×K | 566.64 | Joback Calculated Property |
| Cp,gas | 320.69 | J/mol×K | 602.25 | Joback Calculated Property |
| Cp,gas | 334.13 | J/mol×K | 637.87 | Joback Calculated Property |
| Cp,gas | 346.79 | J/mol×K | 673.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pyrroline, 2-isobutyl.
Sources
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