- InChI
- InChI=1S/C9H11NO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H2,10,11)
- InChI Key
- IZAYISYTIWLBNB-UHFFFAOYSA-N
- Formula
- C9H11NO
- SMILES
- Cc1cccc(C(N)=O)c1C
- Molecular Weight1
- 149.19
- 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° | 55.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 125.460 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Tboil | 546.15 | K | Relay (1.0) Calculated Property |
| Tc | 791.82 | K | Relay (1.0) Calculated Property |
| Tfus | 365.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.46; 348.45] | J/mol×K | [568.36; 798.81] | 
|
| Cp,gas | 286.46 | J/mol×K | 568.36 | Joback Calculated Property |
| Cp,gas | 298.58 | J/mol×K | 606.77 | Joback Calculated Property |
| Cp,gas | 309.95 | J/mol×K | 645.18 | Joback Calculated Property |
| Cp,gas | 320.60 | J/mol×K | 683.59 | Joback Calculated Property |
| Cp,gas | 330.55 | J/mol×K | 722.00 | Joback Calculated Property |
| Cp,gas | 339.82 | J/mol×K | 760.40 | Joback Calculated Property |
| Cp,gas | 348.45 | J/mol×K | 798.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethylbenzamide.
Sources
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