- InChI
- InChI=1S/C13H18N2O3/c1-3-5-10-14(4-2)13(16)11-6-8-12(9-7-11)15(17)18/h6-9H,3-5,10H2,1-2H3
- InChI Key
- CGBLXOJNDWCYPE-UHFFFAOYSA-N
- Formula
- C13H18N2O3
- SMILES
-
CCCCN(CC)C(=O)c1ccc([N+](=O)[O
-])cc1 - Molecular Weight1
- 250.29
- 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° | 178.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -142.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen Calculated Property | |
| logPoct/wat | 2.857 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | [2185.00; 2185.00] |
|
|
| Inp | 2185.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Tboil | 746.65 | K | Joback Calculated Property |
| Tc | 970.97 | K | Joback Calculated Property |
| Tfus | 501.22 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.03; 634.76] | J/mol×K | [746.65; 970.97] |
|
| Cp,gas | 564.03 | J/mol×K | 746.65 | Joback Calculated Property |
| Cp,gas | 578.18 | J/mol×K | 784.04 | Joback Calculated Property |
| Cp,gas | 591.31 | J/mol×K | 821.42 | Joback Calculated Property |
| Cp,gas | 603.47 | J/mol×K | 858.81 | Joback Calculated Property |
| Cp,gas | 614.73 | J/mol×K | 896.19 | Joback Calculated Property |
| Cp,gas | 625.14 | J/mol×K | 933.58 | Joback Calculated Property |
| Cp,gas | 634.76 | J/mol×K | 970.97 | Joback Calculated Property |
Similar Compounds
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Sources
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