- InChI
- InChI=1S/C15H20N2O5/c1-10(2)16(11(3)18)9-15(22-12(4)19)13-5-7-14(8-6-13)17(20)21/h5-8,10,15H,9H2,1-4H3
- InChI Key
- ODKUBEOVIIEYQB-UHFFFAOYSA-N
- Formula
- C15H20N2O5
- SMILES
-
CC(=O)OC(CN(C(C)=O)C(C)C)c1ccc
([N+](=O)[O-])cc1 - Molecular Weight1
- 308.33
- Other Names
-
- Nifenalol, 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° | -43.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.63 | Crippen Calculated Property | |
| logPoct/wat | 2.456 | Crippen Calculated Property | |
| McVol | 234.860 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | [2305.00; 2305.00] |
|
|
| Inp | 2305.00 | NIST | |
| Inp | 2305.00 | NIST | |
| Tboil | 867.82 | K | Joback Calculated Property |
| Tc | 1096.65 | K | Joback Calculated Property |
| Tfus | 565.92 | K | Joback Calculated Property |
| Vc | 0.885 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.06; 774.45] | J/mol×K | [867.82; 1096.65] |
|
| Cp,gas | 714.06 | J/mol×K | 867.82 | Joback Calculated Property |
| Cp,gas | 726.82 | J/mol×K | 905.96 | Joback Calculated Property |
| Cp,gas | 738.44 | J/mol×K | 944.10 | Joback Calculated Property |
| Cp,gas | 748.96 | J/mol×K | 982.24 | Joback Calculated Property |
| Cp,gas | 758.44 | J/mol×K | 1020.38 | Joback Calculated Property |
| Cp,gas | 766.91 | J/mol×K | 1058.52 | Joback Calculated Property |
| Cp,gas | 774.45 | J/mol×K | 1096.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nifenalol, diacetyl deriv..
Sources
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