- InChI
- InChI=1S/C12H17NO2/c1-8-6-10(12(14)15-5)7-9(2)11(8)13(3)4/h6-7H,1-5H3
- InChI Key
- WIJWZUPWOWXGTD-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- COC(=O)c1cc(C)c(N(C)C)c(C)c1
- Molecular Weight1
- 207.27
- CAS
- 56066-86-5
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 | 0.6365 | Relay (1.0) Calculated Property | |
| PAff | 945.40 | kJ/mol | NIST |
| BasG | 913.00 | kJ/mol | NIST |
| ΔfG° | 10.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Tboil | 551.01 | K | Relay (1.0) Calculated Property |
| Tc | 763.08 | K | Relay (1.0) Calculated Property |
| Tfus | 342.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.56; 507.58] | J/mol×K | [604.31; 810.42] | 
|
| Cp,gas | 429.56 | J/mol×K | 604.31 | Joback Calculated Property |
| Cp,gas | 444.50 | J/mol×K | 638.66 | Joback Calculated Property |
| Cp,gas | 458.64 | J/mol×K | 673.01 | Joback Calculated Property |
| Cp,gas | 472.00 | J/mol×K | 707.36 | Joback Calculated Property |
| Cp,gas | 484.61 | J/mol×K | 741.72 | Joback Calculated Property |
| Cp,gas | 496.46 | J/mol×K | 776.07 | Joback Calculated Property |
| Cp,gas | 507.58 | J/mol×K | 810.42 | Joback Calculated Property |
Similar Compounds
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Sources
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