- InChI
- InChI=1S/C10H13NO2/c1-11(2)9-5-4-8(7-12)10(6-9)13-3/h4-7H,1-3H3
- InChI Key
- HGDRXADJVGVGBC-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- COc1cc(N(C)C)ccc1C=O
- Molecular Weight1
- 179.22
- CAS
- 84562-48-1
- 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 | 0.5808 | Relay (1.0) Calculated Property | |
| ΔfG° | 32.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.574 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Tboil | 574.93 | K | Relay (1.0) Calculated Property |
| Tc | 786.27 | K | Relay (1.0) Calculated Property |
| Tfus | 358.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.528 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.23; 404.81] | J/mol×K | [548.36; 755.17] | 
|
| Cp,gas | 335.23 | J/mol×K | 548.36 | Joback Calculated Property |
| Cp,gas | 348.56 | J/mol×K | 582.83 | Joback Calculated Property |
| Cp,gas | 361.17 | J/mol×K | 617.30 | Joback Calculated Property |
| Cp,gas | 373.09 | J/mol×K | 651.76 | Joback Calculated Property |
| Cp,gas | 384.32 | J/mol×K | 686.23 | Joback Calculated Property |
| Cp,gas | 394.89 | J/mol×K | 720.70 | Joback Calculated Property |
| Cp,gas | 404.81 | J/mol×K | 755.17 | Joback Calculated Property |
Similar Compounds
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Sources
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