![Acetamide, N-[2-acetoxy-3-(2-cyanophenyloxy)propyl]-](/cid/123-471-2/Acetamide-N-2-acetoxy-3-2-cyanophenyloxy-propyl.png "Acetamide, N-[2-acetoxy-3-(2-cyanophenyloxy)propyl]-")
- InChI
- InChI=1S/C14H16N2O4/c1-10(17)16-8-13(20-11(2)18)9-19-14-6-4-3-5-12(14)7-15/h3-6,13H,8-9H2,1-2H3,(H,16,17)
- InChI Key
- MOEZTTXOWMBABA-UHFFFAOYSA-N
- Formula
- C14H16N2O4
- SMILES
-
CC(=O)NCC(COc1ccccc1C#N)OC(C)=
O - Molecular Weight1
- 276.29
- Other Names
-
- Bunitrolol desisobutyl, acetylated
- 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° | -77.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 1.005 | Crippen Calculated Property | |
| McVol | 210.600 | ml/mol | McGowan Calculated Property |
| Pc | 2147.32 | kPa | Joback Calculated Property |
| Inp | [2040.00; 2040.00] |
|
|
| Inp | 2040.00 | NIST | |
| Inp | 2040.00 | NIST | |
| Tboil | 855.77 | K | Joback Calculated Property |
| Tc | 1077.38 | K | Joback Calculated Property |
| Tfus | 533.45 | K | Joback Calculated Property |
| Vc | 0.815 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.50; 662.22] | J/mol×K | [855.77; 1077.38] |
|
| Cp,gas | 612.50 | J/mol×K | 855.77 | Joback Calculated Property |
| Cp,gas | 623.33 | J/mol×K | 892.71 | Joback Calculated Property |
| Cp,gas | 633.13 | J/mol×K | 929.64 | Joback Calculated Property |
| Cp,gas | 641.91 | J/mol×K | 966.58 | Joback Calculated Property |
| Cp,gas | 649.68 | J/mol×K | 1003.51 | Joback Calculated Property |
| Cp,gas | 656.44 | J/mol×K | 1040.45 | Joback Calculated Property |
| Cp,gas | 662.22 | J/mol×K | 1077.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-[2-acetoxy-3-(2-cyanophenyloxy)propyl]-.
Sources
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