- InChI
- InChI=1S/C15H18ClNO6/c1-2-9-22-13(18)7-4-8-14(19)23-10-11-5-3-6-12(16)15(11)17(20)21/h3,5-6H,2,4,7-10H2,1H3
- InChI Key
- ZWQYQMQLIZZCQB-UHFFFAOYSA-N
- Formula
- C15H18ClNO6
- SMILES
-
CCCOC(=O)CCCC(=O)OCc1cccc(Cl)c
1[N+](=O)[O-] - Molecular Weight1
- 343.76
- 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° | -275.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 3.415 | Crippen Calculated Property | |
| McVol | 242.990 | ml/mol | McGowan Calculated Property |
| Pc | 1906.90 | kPa | Joback Calculated Property |
| Inp | 2458.00 | NIST | |
| Tboil | 921.09 | K | Joback Calculated Property |
| Tc | 1149.20 | K | Joback Calculated Property |
| Tfus | 628.12 | K | Joback Calculated Property |
| Vc | 0.947 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.52; 763.71] | J/mol×K | [921.09; 1149.20] | 
|
| Cp,gas | 717.52 | J/mol×K | 921.09 | Joback Calculated Property |
| Cp,gas | 728.07 | J/mol×K | 959.11 | Joback Calculated Property |
| Cp,gas | 737.46 | J/mol×K | 997.13 | Joback Calculated Property |
| Cp,gas | 745.71 | J/mol×K | 1035.15 | Joback Calculated Property |
| Cp,gas | 752.82 | J/mol×K | 1073.16 | Joback Calculated Property |
| Cp,gas | 758.81 | J/mol×K | 1111.18 | Joback Calculated Property |
| Cp,gas | 763.71 | J/mol×K | 1149.20 | Joback Calculated Property |
Similar Compounds
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Sources
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