- InChI
- InChI=1S/C18H24ClNO6/c1-2-3-4-5-12-25-16(21)10-7-11-17(22)26-13-14-8-6-9-15(19)18(14)20(23)24/h6,8-9H,2-5,7,10-13H2,1H3
- InChI Key
- DJNVBSFGANFXTC-UHFFFAOYSA-N
- Formula
- C18H24ClNO6
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1cccc(C
l)c1[N+](=O)[O-] - Molecular Weight1
- 385.84
- 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° | -250.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.55 | kJ/mol | Joback Calculated Property |
| log10WS | -6.02 | Crippen Calculated Property | |
| logPoct/wat | 4.585 | Crippen Calculated Property | |
| McVol | 285.260 | ml/mol | McGowan Calculated Property |
| Pc | 1504.65 | kPa | Joback Calculated Property |
| Inp | 2770.00 | NIST | |
| Tboil | 989.73 | K | Joback Calculated Property |
| Tc | 1218.40 | K | Joback Calculated Property |
| Tfus | 661.93 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [889.82; 936.64] | J/mol×K | [989.73; 1218.40] | 
|
| Cp,gas | 889.82 | J/mol×K | 989.73 | Joback Calculated Property |
| Cp,gas | 900.77 | J/mol×K | 1027.84 | Joback Calculated Property |
| Cp,gas | 910.43 | J/mol×K | 1065.95 | Joback Calculated Property |
| Cp,gas | 918.82 | J/mol×K | 1104.07 | Joback Calculated Property |
| Cp,gas | 925.97 | J/mol×K | 1142.18 | Joback Calculated Property |
| Cp,gas | 931.90 | J/mol×K | 1180.29 | Joback Calculated Property |
| Cp,gas | 936.64 | J/mol×K | 1218.40 | Joback Calculated Property |
Similar Compounds
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Sources
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