- InChI
- InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
- InChI Key
- BPEXTIMJLDWDTL-UHFFFAOYSA-N
- Formula
- C9H11NO
- SMILES
- CC(=O)Nc1ccccc1C
- Molecular Weight1
- 149.19
- CAS
- 120-66-1
- Other Names
-
- o-Acetotoluidide
- o-Acetotoluide
- o-Methylacetanilide
- N-Acetyl-o-toluidine
- 2'-Methylacetanilide
- Acetyl-o-toluidine
- Acet-o-toluidide
- 2-Methylacetanilide
- N-o-Tolylacetamide
- N-Acetyl-2-toluidine
- NSC 3365
- ΔcH°solid : Standard solid enthalpy of combustion (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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | [-4921.97; -4871.35] | kJ/mol |
|
| ΔcH°solid | -4871.35 ± 0.79 | kJ/mol | NIST |
| ΔcH°solid | -4921.97 | kJ/mol | NIST |
| ΔfG° | 88.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.14 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -242.43 ± 0.79 | kJ/mol | NIST |
| ΔfusH° | 19.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.75 | kJ/mol | Joback Calculated Property |
| IE | [8.03; 8.34] | eV |
|
| IE | 8.03 ± 0.02 | eV | NIST |
| IE | 8.34 | eV | NIST |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 1.953 | Crippen Calculated Property | |
| McVol | 125.460 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Tboil | 569.20 | K | NIST |
| Tc | 761.01 | K | Joback Calculated Property |
| Tfus | 332.72 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.01; 343.05] | J/mol×K | [541.02; 761.01] |
|
| Cp,gas | 278.01 | J/mol×K | 541.02 | Joback Calculated Property |
| Cp,gas | 290.70 | J/mol×K | 577.69 | Joback Calculated Property |
| Cp,gas | 302.62 | J/mol×K | 614.35 | Joback Calculated Property |
| Cp,gas | 313.78 | J/mol×K | 651.02 | Joback Calculated Property |
| Cp,gas | 324.22 | J/mol×K | 687.68 | Joback Calculated Property |
| Cp,gas | 333.96 | J/mol×K | 724.35 | Joback Calculated Property |
| Cp,gas | 343.05 | J/mol×K | 761.01 | Joback Calculated Property |
| ΔfusH | 21.70 | kJ/mol | 382.70 | NIST |
| ΔsubH | 96.80 | kJ/mol | 327.50 | NIST |
Similar Compounds
Find more compounds similar to Acetamide, N-(2-methylphenyl)-.
Sources
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