- InChI
- InChI=1S/C17H19NO4/c1-12(2)5-10-16(11-13(3)4)22-17(19)14-6-8-15(9-7-14)18(20)21/h6-9,13,16H,1,11H2,2-4H3
- InChI Key
- RUYNTJYQYZBXQH-UHFFFAOYSA-N
- Formula
- C17H19NO4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(
[N+](=O)[O-])cc1 - Molecular Weight1
- 301.34
- 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° | 273.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 3.746 | Crippen Calculated Property | |
| McVol | 238.590 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Inp | 2107.00 | NIST | |
| Tboil | 852.83 | K | Joback Calculated Property |
| Tc | 1098.78 | K | Joback Calculated Property |
| Tfus | 596.44 | K | Joback Calculated Property |
| Vc | 0.917 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [694.34; 762.28] | J/mol×K | [852.83; 1098.78] | 
|
| Cp,gas | 694.34 | J/mol×K | 852.83 | Joback Calculated Property |
| Cp,gas | 708.53 | J/mol×K | 893.82 | Joback Calculated Property |
| Cp,gas | 721.49 | J/mol×K | 934.81 | Joback Calculated Property |
| Cp,gas | 733.29 | J/mol×K | 975.80 | Joback Calculated Property |
| Cp,gas | 743.98 | J/mol×K | 1016.79 | Joback Calculated Property |
| Cp,gas | 753.63 | J/mol×K | 1057.78 | Joback Calculated Property |
| Cp,gas | 762.28 | J/mol×K | 1098.78 | Joback Calculated Property |
Similar Compounds
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Sources
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