- InChI
- InChI=1S/C16H17NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11,15,18H,1-2H3
- InChI Key
- SOLBSNQBVLAREX-UHFFFAOYSA-N
- Formula
- C16H17NO2
- SMILES
-
CN(C)c1ccc(C(=O)C(O)c2ccccc2)c
c1 - Molecular Weight1
- 255.31
- CAS
- 6317-85-7
- Other Names
-
- Ethanone, 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenyl-
- 1-Ethanone, 2-hydroxy, 1-(4-dimethylaminophenyl)-2-phenyl
- 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenylethan-1-one
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 141.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 2.669 | Crippen Calculated Property | |
| McVol | 206.200 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Inp | 2410.00 | NIST | |
| Tboil | 781.87 | K | Joback Calculated Property |
| Tc | 1002.57 | K | Joback Calculated Property |
| Tfus | 463.66 | K | Joback Calculated Property |
| Vc | 0.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.31; 651.55] | J/mol×K | [781.87; 1002.57] | 
|
| Cp,gas | 586.31 | J/mol×K | 781.87 | Joback Calculated Property |
| Cp,gas | 599.46 | J/mol×K | 818.65 | Joback Calculated Property |
| Cp,gas | 611.61 | J/mol×K | 855.44 | Joback Calculated Property |
| Cp,gas | 622.81 | J/mol×K | 892.22 | Joback Calculated Property |
| Cp,gas | 633.16 | J/mol×K | 929.00 | Joback Calculated Property |
| Cp,gas | 642.71 | J/mol×K | 965.79 | Joback Calculated Property |
| Cp,gas | 651.55 | J/mol×K | 1002.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Dimethylaminobenzoin.
Sources
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