- InChI
- InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3
- InChI Key
- LMTGCJANOQOGPI-UHFFFAOYSA-N
- Formula
- C9H11NO
- SMILES
- CC(=O)N(C)c1ccccc1
- Molecular Weight1
- 149.19
- Other Names
-
- Acetanilide, N-methyl-
- Acetomethylanilide
- Exalgin
- Methylantifebrin
- Methylazol
- N-Acetyl-N-methylaniline
- N-Acetyl-methylaniline
- N-Methyl-N-phenylacetamide
- N-Methylacetanilide
- NSC 2140
- Oxalgin
- Phenylmethylacetamide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.4635 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | NIST |
| log10WS | -0.95 | Aq. Solubility Prediction | |
| logPoct/wat | 1.669 | Crippen Calculated Property | |
| McVol | 125.460 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1260.00] |
|
|
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Tboil | 525.14 | K | Relay (1.0) Calculated Property |
| Tc | 748.87 | K | Relay (1.0) Calculated Property |
| Tfus | 304.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [56.70; 60.10] | kJ/mol | [451.00; 451.50] |
|
| ΔvapH | 60.10 | kJ/mol | 451.00 | NIST |
| ΔvapH | 56.70 | kJ/mol | 451.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.58; 392.17] | 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 | -4.25300e+01 | |||
| Coefficient B | 8.75840e-01 | |||
| Coefficient C | -5.90900e-04 | |||
| Coefficient D | 1.49760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 200.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 272.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 301.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 326.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 346.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 364.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 379.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.67; 100.22] | kPa | [377.00; 526.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.59975e+01 | |||
| Coefficient B | -5.55930e+03 | |||
| Coefficient C | -3.79200e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 377.00 | |||
| Temperature range, max. | 526.00 | |||
| Pvap | 0.67 | kPa | 377.00 | Calculated Property |
| Pvap | 1.44 | kPa | 393.56 | Calculated Property |
| Pvap | 2.89 | kPa | 410.11 | Calculated Property |
| Pvap | 5.46 | kPa | 426.67 | Calculated Property |
| Pvap | 9.79 | kPa | 443.22 | Calculated Property |
| Pvap | 16.77 | kPa | 459.78 | Calculated Property |
| Pvap | 27.58 | kPa | 476.33 | Calculated Property |
| Pvap | 43.75 | kPa | 492.89 | Calculated Property |
| Pvap | 67.18 | kPa | 509.44 | Calculated Property |
| Pvap | 100.22 | kPa | 526.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-methyl-N-phenyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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