- InChI
- InChI=1S/C12H19NO2/c1-3-8(2)12(14)15-11-6-9-4-5-10(7-11)13-9/h3,9-11,13H,4-7H2,1-2H3/b8-3+
- InChI Key
- KLFGVBUPYUSQKV-FPYGCLRLSA-N
- Formula
- C12H19NO2
- SMILES
- CC=C(C)C(=O)OC1CC2CCC(C1)N2
- Molecular Weight1
- 209.28
- CAS
- 55727-41-8
- 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 | 0.5086 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.779 | Crippen Calculated Property | |
| McVol | 171.340 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | 1961.80 | NIST | |
| Tboil | 542.19 | K | Relay (1.0) Calculated Property |
| Tc | 790.26 | K | Relay (1.0) Calculated Property |
| Tfus | 399.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.619 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.99; 567.98] | J/mol×K | [620.19; 843.33] | 
|
| Cp,gas | 470.99 | J/mol×K | 620.19 | Joback Calculated Property |
| Cp,gas | 489.95 | J/mol×K | 657.38 | Joback Calculated Property |
| Cp,gas | 507.71 | J/mol×K | 694.57 | Joback Calculated Property |
| Cp,gas | 524.33 | J/mol×K | 731.76 | Joback Calculated Property |
| Cp,gas | 539.88 | J/mol×K | 768.95 | Joback Calculated Property |
| Cp,gas | 554.41 | J/mol×K | 806.14 | Joback Calculated Property |
| Cp,gas | 567.98 | J/mol×K | 843.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»-Tigloyloxynortropane.
Sources
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