- InChI
- InChI=1S/C11H19NO2/c1-8-4-6-9(7-5-8)11(2,3)14-10(12)13/h4,9H,5-7H2,1-3H3,(H2,12,13)/t9-/m0/s1
- InChI Key
- FAWOOBVOAIFUAT-VIFPVBQESA-N
- Formula
- C11H19NO2
- SMILES
- CC1=CCC(C(C)(C)OC(N)=O)CC1
- Molecular Weight1
- 197.27
- 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° | -78.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 2.607 | Crippen Calculated Property | |
| McVol | 168.110 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Inp | 1548.00 | NIST | |
| Tboil | 620.36 | K | Joback Calculated Property |
| Tc | 846.47 | K | Joback Calculated Property |
| Tfus | 392.23 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.83; 542.91] | J/mol×K | [620.36; 846.47] | 
|
| Cp,gas | 454.83 | J/mol×K | 620.36 | Joback Calculated Property |
| Cp,gas | 472.28 | J/mol×K | 658.04 | Joback Calculated Property |
| Cp,gas | 488.57 | J/mol×K | 695.73 | Joback Calculated Property |
| Cp,gas | 503.73 | J/mol×K | 733.41 | Joback Calculated Property |
| Cp,gas | 517.82 | J/mol×K | 771.10 | Joback Calculated Property |
| Cp,gas | 530.86 | J/mol×K | 808.78 | Joback Calculated Property |
| Cp,gas | 542.91 | J/mol×K | 846.47 | Joback Calculated Property |
Similar Compounds
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Sources
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