- InChI
- InChI=1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
- InChI Key
- IMNDHOCGZLYMRO-UHFFFAOYSA-N
- Formula
- C9H11NO
- SMILES
- CN(C)C(=O)c1ccccc1
- Molecular Weight1
- 149.19
- CAS
- 611-74-5
- Other Names
-
- N,N-dimethylbenzamide
- dimethylbenzamide
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4568 | Relay (1.0) Calculated Property | |
| PAff | 932.70 | kJ/mol | NIST |
| BasG | 901.80 | kJ/mol | NIST |
| ΔcH°solid | [-4959.90; -4938.00] | kJ/mol |
|
| ΔcH°solid | -4938.00 ± 1.80 | kJ/mol | NIST |
| ΔcH°solid | -4959.90 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 119.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-86.00; -83.20] | kJ/mol |
|
| ΔfH°gas | -86.00 ± 2.20 | kJ/mol | NIST |
| ΔfH°gas | -83.20 ± 8.60 | kJ/mol | NIST |
| ΔfH°solid | [-175.70; -153.90] | kJ/mol |
|
| ΔfH°solid | -175.70 ± 2.20 | kJ/mol | NIST |
| ΔfH°solid | -171.40 ± 5.90 | kJ/mol | NIST |
| ΔfH°solid | -153.90 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 21.22 | kJ/mol | Thermodynamic Study of Benzamide, N-Methylbenzamide, and N,N-Dimethylbenzamide: Vapor Pressures, Phase Diagrams, and Hydrogen Bond Enthalpy |
| ΔsubH° | [88.20; 94.80] | kJ/mol |
|
| ΔsubH° | 89.70 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 89.70 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 88.20 ± 6.30 | kJ/mol | NIST |
| ΔsubH° | 94.80 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 62.00 ± 3.00 | kJ/mol | NIST |
| IE | 9.04 | eV | NIST |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.388 | Crippen Calculated Property | |
| McVol | 125.460 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [1121.67; 1168.05] |
|
|
| Inp | 1121.67 | NIST | |
| Inp | 1147.52 | NIST | |
| Inp | 1141.95 | NIST | |
| Inp | 1168.05 | NIST | |
| I | [2299.07; 2350.79] |
|
|
| I | 2299.07 | NIST | |
| I | 2325.18 | NIST | |
| I | 2350.79 | NIST | |
| Tboil | 539.00 ± 5.00 | K | NIST |
| Tc | 730.10 | K | Relay (1.0) Calculated Property |
| Tfus | [312.00; 315.90] | K |
|
| Tfus | 315.90 ± 2.00 | K | NIST |
| Tfus | 315.90 ± 2.00 | K | NIST |
| Tfus | 312.00 ± 5.00 | K | NIST |
| Vc | 0.474 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.79; 336.04] | J/mol×K | [498.51; 713.79] |
|
| Cp,gas | 265.79 | J/mol×K | 498.51 | Joback Calculated Property |
| Cp,gas | 279.62 | J/mol×K | 534.39 | Joback Calculated Property |
| Cp,gas | 292.54 | J/mol×K | 570.27 | Joback Calculated Property |
| Cp,gas | 304.61 | J/mol×K | 606.15 | Joback Calculated Property |
| Cp,gas | 315.85 | J/mol×K | 642.03 | Joback Calculated Property |
| Cp,gas | 326.31 | J/mol×K | 677.91 | Joback Calculated Property |
| Cp,gas | 336.04 | J/mol×K | 713.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [405.70; 418.00] | K | [2.00; 2.40] |
|
| Tboilr | 405.70 | K | 2.00 | NIST |
| Tboilr | 418.00 ± 1.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Benzamide, N,N-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic Study of Benzamide, N-Methylbenzamide, and N,N-Dimethylbenzamide: Vapor Pressures, Phase Diagrams, and Hydrogen Bond Enthalpy
- Joback Method
- McGowan Method
- NIST Webbook
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