- InChI
- InChI=1S/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3
- InChI Key
- LFULMNRPABTDDQ-UHFFFAOYSA-N
- Formula
- C11H17NO3
- SMILES
- CNCc1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 211.26
- CAS
- 58780-82-8
- 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).
- 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 | 0.6653 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.432 | Crippen Calculated Property | |
| McVol | 169.680 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Tboil | 563.99 | K | Relay (1.0) Calculated Property |
| Tc | 756.71 | K | Relay (1.0) Calculated Property |
| Tfus | 352.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.618 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.17; 503.45] | J/mol×K | [610.13; 810.87] | 
|
| Cp,gas | 427.17 | J/mol×K | 610.13 | Joback Calculated Property |
| Cp,gas | 441.52 | J/mol×K | 643.59 | Joback Calculated Property |
| Cp,gas | 455.24 | J/mol×K | 677.04 | Joback Calculated Property |
| Cp,gas | 468.31 | J/mol×K | 710.50 | Joback Calculated Property |
| Cp,gas | 480.72 | J/mol×K | 743.95 | Joback Calculated Property |
| Cp,gas | 492.44 | J/mol×K | 777.41 | Joback Calculated Property |
| Cp,gas | 503.45 | J/mol×K | 810.87 | Joback Calculated Property |
Similar Compounds
![Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxy-.](data:image/png;base64,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)
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