- InChI
- InChI=1S/C11H19NO2/c13-11(9-4-1-2-5-9)12-8-10-6-3-7-14-10/h9-10H,1-8H2,(H,12,13)
- InChI Key
- QNTIZDBSUZSIQJ-UHFFFAOYSA-N
- Formula
- C11H19NO2
- SMILES
- O=C(NCC1CCCO1)C1CCCC1
- Molecular Weight1
- 197.27
- 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 | 0.5275 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.472 | Crippen Calculated Property | |
| McVol | 161.550 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Inp | 1671.00 | NIST | |
| Tboil | 571.88 | K | Relay (1.0) Calculated Property |
| Tc | 808.87 | K | Relay (1.0) Calculated Property |
| Tfus | 339.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.607 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.71; 551.67] | J/mol×K | [612.63; 837.38] | 
|
| Cp,gas | 453.71 | J/mol×K | 612.63 | Joback Calculated Property |
| Cp,gas | 473.14 | J/mol×K | 650.09 | Joback Calculated Property |
| Cp,gas | 491.26 | J/mol×K | 687.55 | Joback Calculated Property |
| Cp,gas | 508.11 | J/mol×K | 725.01 | Joback Calculated Property |
| Cp,gas | 523.75 | J/mol×K | 762.47 | Joback Calculated Property |
| Cp,gas | 538.25 | J/mol×K | 799.92 | Joback Calculated Property |
| Cp,gas | 551.67 | J/mol×K | 837.38 | Joback Calculated Property |
Similar Compounds
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Sources
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