- InChI
- InChI=1S/C15H19NO4/c1-3-4-5-6-7-12(2)20-15(17)13-8-10-14(11-9-13)16(18)19/h6-12H,3-5H2,1-2H3/b7-6+
- InChI Key
- LXVKUUDHSWMVOA-VOTSOKGWSA-N
- Formula
- C15H19NO4
- SMILES
-
CCCCC=CC(C)OC(=O)c1ccc([N+](=O
)[O-])cc1 - Molecular Weight1
- 277.32
- 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° | 57.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.24 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 3.886 | Crippen Calculated Property | |
| McVol | 219.010 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| Inp | 2023.00 | NIST | |
| Tboil | 806.11 | K | Joback Calculated Property |
| Tc | 1035.35 | K | Joback Calculated Property |
| Tfus | 493.44 | K | Joback Calculated Property |
| Vc | 0.848 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.58; 703.92] | J/mol×K | [806.11; 1035.35] | 
|
| Cp,gas | 634.58 | J/mol×K | 806.11 | Joback Calculated Property |
| Cp,gas | 648.57 | J/mol×K | 844.32 | Joback Calculated Property |
| Cp,gas | 661.51 | J/mol×K | 882.52 | Joback Calculated Property |
| Cp,gas | 673.46 | J/mol×K | 920.73 | Joback Calculated Property |
| Cp,gas | 684.47 | J/mol×K | 958.94 | Joback Calculated Property |
| Cp,gas | 694.61 | J/mol×K | 997.14 | Joback Calculated Property |
| Cp,gas | 703.92 | J/mol×K | 1035.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrobenzoic acid, oct-3-en-2-yl ester.
Sources
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