- InChI
- InChI=1S/C10H17NO/c1-2-3-4-7-10(12)9-6-5-8-11-9/h2-8H2,1H3
- InChI Key
- AOTAURKLJAXOEJ-UHFFFAOYSA-N
- Formula
- C10H17NO
- SMILES
- CCCCCC(=O)C1=NCCC1
- Molecular Weight1
- 167.25
- 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 | 0.5319 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.371 | Crippen Calculated Property | |
| McVol | 148.150 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Inp | [1319.00; 1319.00] |
|
|
| Inp | 1319.00 | NIST | |
| Inp | 1319.00 | NIST | |
| Tboil | 504.13 | K | Relay (1.0) Calculated Property |
| Tc | 739.70 | K | Relay (1.0) Calculated Property |
| Tfus | 292.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.68; 460.68] | J/mol×K | [559.86; 771.58] |
|
| Cp,gas | 373.68 | J/mol×K | 559.86 | Joback Calculated Property |
| Cp,gas | 390.46 | J/mol×K | 595.15 | Joback Calculated Property |
| Cp,gas | 406.30 | J/mol×K | 630.43 | Joback Calculated Property |
| Cp,gas | 421.22 | J/mol×K | 665.72 | Joback Calculated Property |
| Cp,gas | 435.24 | J/mol×K | 701.01 | Joback Calculated Property |
| Cp,gas | 448.38 | J/mol×K | 736.29 | Joback Calculated Property |
| Cp,gas | 460.68 | J/mol×K | 771.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pyrroline, 2-hexanoyl.
Sources
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