- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.55; 384.03] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.25000e+00 | |||
| Coefficient B | 6.94840e-01 | |||
| Coefficient C | -3.87620e-04 | |||
| Coefficient D | 7.35600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 203.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 295.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 318.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 339.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 356.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 371.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 384.03 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethylbenzamide.
Sources
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