- InChI
- InChI=1S/C16H15NO2/c1-13(18)12-16(19)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3
- InChI Key
- VLPXGVNKPRHLGC-UHFFFAOYSA-N
- Formula
- C16H15NO2
- SMILES
-
CC(=O)CC(=O)N(c1ccccc1)c1ccccc
1 - Molecular Weight1
- 253.30
- CAS
- 2540-31-0
- 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).
- 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).
- 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 | -8211.90 ± 8.40 | kJ/mol | NIST |
| ΔfG° | 161.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.14 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -227.90 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 31.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 3.330 | Crippen Calculated Property | |
| McVol | 201.900 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Tboil | 739.02 | K | Joback Calculated Property |
| Tc | 977.16 | K | Joback Calculated Property |
| Tfus | 455.25 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.45; 618.79] | J/mol×K | [739.02; 977.16] | 
|
| Cp,gas | 547.45 | J/mol×K | 739.02 | Joback Calculated Property |
| Cp,gas | 562.18 | J/mol×K | 778.71 | Joback Calculated Property |
| Cp,gas | 575.66 | J/mol×K | 818.40 | Joback Calculated Property |
| Cp,gas | 587.96 | J/mol×K | 858.09 | Joback Calculated Property |
| Cp,gas | 599.19 | J/mol×K | 897.78 | Joback Calculated Property |
| Cp,gas | 609.43 | J/mol×K | 937.47 | Joback Calculated Property |
| Cp,gas | 618.79 | J/mol×K | 977.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoacetyldiphenylamine.
Sources
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